| CAS Number | 356081-52-2 |
| Catalog Number | AG019O3B |
| Chemical Name | 3-(2-Oxo-1,2-dihydroquinoline-4-amido)benzoic acid |
| IUPAC Name | 3-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoic acid |
| InChI | InChI=1S/C17H12N2O4/c20-15-9-13(12-6-1-2-7-14(12)19-15)16(21)18-11-5-3-4-10(8-11)17(22)23/h1-9H,(H,18,21)(H,19,20)(H,22,23) |
| InChI Key | KNOMAJGTMGMTLM-UHFFFAOYSA-N |
| MDL Number | MFCD06655404 |
| Molecular Formula | C17H12N2O4 |
| Molecular Weight | 308.2882 |
| SMILES | OC(C1=CC(NC(C2C3=C(C=CC=C3)NC(=O)C=2)=O)=CC=C1)=O |
| Synonyms | 3-(2-oxo-1,2-dihydroquinoline-4-amido)benzoic acid,
356081-52-2,
3-{[(2-oxo-1,2-dihydroquinolin-4-yl)carbonyl]amino}benzoic acid,
AC1LIMBW,
Oprea1_179615,
AC1Q731H,
CTK7F5838,
ZINC3888364,
AKOS001075125,
MCULE-2589827132,
NE42934,
EN300-12649,
3-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoic acid,
CID906984,
3-[(2-oxo1H-quinoline-4-carbonyl)amino]benzoic Acid,
|
| Complexity | 543 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.293g/mol |
| Monoisotopic Mass | 308.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number