3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one
![3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one Structure](https://image.chemsrc.com/caspic/247/139986-38-2.png)
3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one structure
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Common Name | 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one | ||
|---|---|---|---|---|
| CAS Number | 139986-38-2 | Molecular Weight | 292.13100 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H10BrN3O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C12H10BrN3O |
|---|---|
| Molecular Weight | 292.13100 |
| Exact Mass | 291.00100 |
| PSA | 72.76000 |
| LogP | 2.22260 |
| InChIKey | JJPNUYHDMXFJIO-UHFFFAOYSA-N |
| SMILES | Nc1nc2c(c(=O)[nH]1)-c1cc(Br)ccc1CC2 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~51%
3-amino-9-bromo... CAS#:139986-38-2 |
| Literature: THE WELLCOME FOUNDATION LIMITED Patent: EP1199307 A1, 2002 ; Location in patent: Page 15 ; |
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~%
3-amino-9-bromo... CAS#:139986-38-2 |
| Literature: Pendergast; Johnson; Dickerson; Dev; Duch; Ferone; Hall; Humphreys; Kelly; Wilson Journal of Medicinal Chemistry, 1993 , vol. 36, # 16 p. 2279 - 2291 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition against thymidylate synthase (TS) in Candida albicans
Source: ChEMBL
Target: Thymidylate synthase
External Id: CHEMBL883513
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Name: Inhibition against thymidylate synthase (TS) in calf thymus
Source: ChEMBL
Target: Thymidylate synthase
External Id: CHEMBL816054
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Name: Inhibition of the growth of the human tumor cell line SW480 (colon adenocarcinoma)
Source: ChEMBL
Target: SW480
External Id: CHEMBL805255
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Name: Inhibition against thymidylate synthase (TS) in Escherichia coli
Source: ChEMBL
Target: Thymidylate synthase
External Id: CHEMBL812308
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-amino-9-bromo-5,6-dihydrobenzo[f]quinazolin-1(2H)-one |
| Benzo[f]quinazolin-1(2H)-one,3-amino-9-bromo-5,6-dihydro |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one? |
| A: SMILES notation of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one is Nc1nc2c(c(=O)[nH]1)-c1cc(Br)ccc1CC2. |
| Q: What is the molecular weight of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one? |
| A: Molecular weight of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one is 292.13100. |
| Q: What is the LogP of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one? |
| A: LogP of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one is 2.22260. |
| Q: What is the English name of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one? |
| A: The English name of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one is 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one. |
| Q: What are the upstream materials of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one? |
| A: Related upstream materials(CAS) of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one: 50-01-1;132095-54-6. |
| Q: What is the Chinese name of 139986-38-2? |
| A: Chinese name of 139986-38-2 is 139986-38-2. |
| Q: What is the InChIKey of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one? |
| A: InChIKey of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one is JJPNUYHDMXFJIO-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one? |
| A: CAS number of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one is 139986-38-2. |
| Q: What is the polar surface area (PSA) of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one? |
| A: Polar surface area (PSA) of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one is 72.76000. |
| Q: What English synonyms does 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one have? |
| A: English synonyms of 3-amino-9-bromo-5,6-dihydro-4H-benzo[f]quinazolin-1-one: 3-amino-9-bromo-5,6-dihydrobenzo[f]quinazolin-1(2H)-one, Benzo[f]quinazolin-1(2H)-one,3-amino-9-bromo-5,6-dihydro. |