| CAS Number | 874594-10-2 |
| Catalog Number | AG019OUW |
| Chemical Name | 2-Chloro-N-cyclopropylquinoline-4-carboxamide |
| IUPAC Name | 2-chloro-N-cyclopropylquinoline-4-carboxamide |
| InChI | InChI=1S/C13H11ClN2O/c14-12-7-10(13(17)15-8-5-6-8)9-3-1-2-4-11(9)16-12/h1-4,7-8H,5-6H2,(H,15,17) |
| InChI Key | ISHDXJSQWOQIHZ-UHFFFAOYSA-N |
| MDL Number | MFCD00444357 |
| Molecular Formula | C13H11ClN2O |
| Molecular Weight | 246.6922 |
| SMILES | ClC1=NC2=C(C=CC=C2)C(C(NC2CC2)=O)=C1 |
| Synonyms | 2-chloro-N-cyclopropylquinoline-4-carboxamide,
874594-10-2,
AC1OFLP9,
AC1Q3KVU,
SCHEMBL90320,
MLS002155643,
CHEMBL1551862,
CTK6H4062,
HMS1781O02,
HMS3015D16,
ZINC4218894,
AKOS008947071,
MCULE-2258061470,
NE36228,
SMR001238165,
EN300-15330,
SR-01000657086,
SR-01000657086-1,
ZINC04218894,
CID7131550,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.694g/mol |
| Monoisotopic Mass | 246.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number