Basic information
- CAS
6004-20-2- Standard SMILES
O=C(Nc1ccccc1C(=O)O)c1ccc2ccccc2n1- InChIKey
AHPLUEXNVMJWCW-UHFFFAOYSA-N- Molecular formula
- C17H12N2O3
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.08479225
Names & identifiers
- Preferred name
- 2-(Quinoline-2-carbonylamino)benzoic acid
- IUPAC
- 2-(quinoline-2-carbonylamino)benzoic acid
Names & synonyms
6004-20-2MLS0001094482-(quinoline-2-carbonylamino)benzoic acid2-[(Quinoline-2-carbonyl)amino]benzoic acidCBMicro_040885Oprea1_185248Oprea1_600889CHEMBL1413843SCHEMBL18963259DTXSID60975462HMS2276E10CCG-3736
Show more names
AKOS0002642542-(Quinoline-2-carboxamido)benzoic acidSMR000105391BIM-0040647.P0012-[(2-quinolinylcarbonyl)amino]benzoic acidSR-01000225141SR-01000225141-1
Database identifiers
- CAS
6004-20-2- PubChem CID
- 878043
- DTXSID
DTXSID60975462- ChEMBL
CHEMBL1413843
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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