Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-5-hydroxy-
Basic information
- CAS
72071-22-8- Standard SMILES
O=C(O)c1cc(O)ccc1Nc1ccnc2cc(Cl)ccc12- InChIKey
HPJFHTNAPDENER-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O3
- Average molar mass
- 314.72 g/mol
- Monoisotopic mass
- 314.0458199
Names & identifiers
- Preferred name
- Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-5-hydroxy-
- IUPAC
- 2-[(7-chloroquinolin-4-yl)amino]-5-hydroxybenzoic acid
Names & synonyms
72071-22-8Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-5-hydroxy-DTXSID00222402RefChem:326687DTXCID601448932-((7-Chloroquinolin-4-yl)amino)-5-hydroxybenzoic acid2-[(7-chloroquinolin-4-yl)amino]-5-hydroxybenzoic acid5-hydroxy-2-(7-chloro-4-quinolylamino) benzoic acid
Database identifiers
- CAS
72071-22-8- PubChem CID
- 155694
- DTXSID
DTXSID00222402
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
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Compound notes
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