Basic information
- Standard SMILES
Cc1cc(C(=O)O)cc2c(=O)n(C)c(-c3cc(Br)nn3-c3ncccc3Cl)nc12- InChIKey
WFBLCCMICBEDGV-UHFFFAOYSA-N- Molecular formula
- C19H13BrClN5O3
- Average molar mass
- 474.7 g/mol
- Monoisotopic mass
- 472.98903
Names & identifiers
- Preferred name
- 2-[3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-3,8-dimethyl-4-oxo-3,4-dihydro-6-quinazolinecarboxylic acid
- IUPAC
- 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-3,8-dimethyl-4-oxoquinazoline-6-carboxylic acid
Names & synonyms
SCHEMBL31742527DTXSID3010094082-[3-Bromo-1-(3-chloro-2-pyridinyl)-1H-pyrazol-5-yl]-3,8-dimethyl-4-oxo-3,4-dihydro-6-quinazolinecarboxylic acid2-[3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazol-5-yl]-3,8-dimethyl-4-oxo-3,4-dihydroquinazoline-6-carboxylic acid
Database identifiers
- PubChem CID
- 138394792
- DTXSID
DTXSID301009408
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 709
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…