| CAS Number | 298193-75-6 |
| Catalog Number | AG019W3D |
| Chemical Name | N-(2-nitrophenyl)quinoline-2-carboxamide |
| IUPAC Name | N-(2-nitrophenyl)quinoline-2-carboxamide |
| InChI | InChI=1S/C16H11N3O3/c20-16(18-13-7-3-4-8-15(13)19(21)22)14-10-9-11-5-1-2-6-12(11)17-14/h1-10H,(H,18,20) |
| InChI Key | DHDGLTJOCMHBJD-UHFFFAOYSA-N |
| MDL Number | MFCD00498368 |
| Molecular Formula | C16H11N3O3 |
| Molecular Weight | 293.2768 |
| SMILES | [O-][N+](C1=C(NC(C2=NC3=C(C=CC=C3)C=C2)=O)C=CC=C1)=O |
| Synonyms | N-(2-nitrophenyl)quinoline-2-carboxamide,
298193-75-6,
AC1MQCGQ,
CBMicro_031013,
AC1Q1X0D,
Oprea1_220674,
CTK7F7692,
ZINC5257462,
AKOS034450908,
MCULE-2547864279,
NE11553,
BIM-0030763.P001,
EN300-50355,
SR-01000225362,
SR-01000225362-1,
Z56757919,
ZINC05257462,
CID3449483,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.282g/mol |
| Monoisotopic Mass | 293.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number