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Basic information
- Standard SMILES
O=C(O)c1ccc(Nc2ccnc3cc(Cl)ccc23)cc1- InChIKey
PVKCHTSQSSTMAY-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O2
- Average molar mass
- 298.72 g/mol
Names & identifiers
- Preferred name
- 4-[(7-Chloroquinolin-4-yl)amino]benzoic acid
- IUPAC
- 4-[(7-chloroquinolin-4-yl)amino]benzoic acid
Names & synonyms
4-(7-Chloro-quinolin-4-ylamino)-benzoic acid4-[(7-chloroquinolin-4-yl)amino]benzoic acid50534-13-94-((7-chloroquinolin-4-yl)amino)benzoic acidChemDiv3_001996Oprea1_224364SCHEMBL9480795CHEMBL4634864PVKCHTSQSSTMAY-UHFFFAOYSA-NHMS1478K16STK763398AKOS004912814
Show more names
CCG-107949IDI1_0209624-(7-chloro-4-quinolylamino) benzoic acidST40577544-[(7-chloro-4-quinolyl)amino]benzoic acid4-[(7-Chloro-4-quinolinyl)amino]benzoic acidBRD-K48445054-001-01-9
Database identifiers
- PubChem CID
- 686283
- ChEMBL
CHEMBL4634864
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Related reactions
3 records
Compound notes
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