| CAS Number | 939760-13-1 |
| Catalog Number | AG003AIL(AGN-PC-0WG52Y) |
| Chemical Name | 4-Quinolinecarboxamide, N-[3-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]-1,2-dihydro-2-oxo- |
| IUPAC Name | 2-oxo-N-[3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]phenyl]-1H-quinoline-4-carboxamide |
| InChI | InChI=1S/C25H22N4O5S/c26-35(33,34)19-10-8-16(9-11-19)12-13-27-24(31)17-4-3-5-18(14-17)28-25(32)21-15-23(30)29-22-7-2-1-6-20(21)22/h1-11,14-15H,12-13H2,(H,27,31)(H,28,32)(H,29,30)(H2,26,33,34) |
| InChI Key | UUQNZYDCNYMMBW-UHFFFAOYSA-N |
| MDL Number | MFCD09282757 |
| Molecular Formula | C25H22N4O5S |
| Molecular Weight | 490.5310 |
| SMILES | NS(=O)(=O)C1=CC=C(C=C1)CCNC(=O)C=1C=C(C=CC1)NC(=O)C1=CC(NC2=CC=CC=C12)=O |
| Synonyms | 4-Quinolinecarboxamide, N-[3-[[[2-[4-(aminosulfonyl)phenyl]ethyl]amino]carbonyl]phenyl]-1,2-dihydro-2-oxo-,
939760-13-1,
ZINC14244134,
AKOS008036470,
MCULE-9351343164,
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| Complexity | 936 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 490.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 490.534g/mol |
| Monoisotopic Mass | 490.131g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 156A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number