4-[(Quinolin-2-ylcarbonyl)amino]benzoic acid
Basic information
- CAS
190437-68-4- Standard SMILES
O=C(O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1- InChIKey
GYDKTBBBADIVCA-UHFFFAOYSA-N- Molecular formula
- C17H12N2O3
- Average molar mass
- 292.29 g/mol
- Monoisotopic mass
- 292.08479225
Names & identifiers
- Preferred name
- 4-[(Quinolin-2-ylcarbonyl)amino]benzoic acid
- IUPAC
- 4-(quinoline-2-carbonylamino)benzoic acid
- English name
- CHEMBRDG-BB 6024454
- Molecular formula
- C17H12N2O3
- Molecular weight
- 292.29
Names & synonyms
190437-68-44-[(quinolin-2-ylcarbonyl)amino]benzoic acid4-(Quinoline-2-carboxamido)benzoic acid4-(quinoline-2-carbonylamino)benzoic acidMFCD00498384Benzoic acid, 4-[(2-quinolinylcarbonyl)amino]-CBMicro_021677Oprea1_252415Oprea1_375816CHEMBL5631445SCHEMBL12258528DTXSID10392923
Show more names
CHEMBRDG-BB 60244544-[(quinolin-2-ylcarbonyl)amino]benzoic acid(SALTDATA: FREE)
CCG-13602AKOS0001458704-(Quinoline-2-carboxamido)benzoicacidSB70570BIM-0021668.P001DB-2124754-[(Quinolin-2-ylcarbonyl)amino]benzoicacid4-[(Quinoline-2-carbonyl)amino]benzoic acid
Database identifiers
- CAS
190437-68-4- PubChem CID
- 3484628
- DTXSID
DTXSID10392923- ChEMBL
CHEMBL5631445
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 418
Physicochemical properties
- Boiling point
- 451.7 · 451.7±25.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- pka
- 4.15 · 4.15±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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