| CAS Number | 929974-87-8 |
| Catalog Number | AG019KF4 |
| Chemical Name | ethyl 2-(cyanomethyl)-4-methylquinoline-3-carboxylate |
| IUPAC Name | ethyl 2-(cyanomethyl)-4-methylquinoline-3-carboxylate |
| InChI | InChI=1S/C15H14N2O2/c1-3-19-15(18)14-10(2)11-6-4-5-7-12(11)17-13(14)8-9-16/h4-7H,3,8H2,1-2H3 |
| InChI Key | NWEQJKBEJLDPPZ-UHFFFAOYSA-N |
| MDL Number | MFCD09040387 |
| Molecular Formula | C15H14N2O2 |
| Molecular Weight | 254.2839 |
| SMILES | CCOC(C1=C(CC#N)N=C2C(C=CC=C2)=C1C)=O |
| Synonyms | ethyl 2-(cyanomethyl)-4-methylquinoline-3-carboxylate,
929974-87-8,
EN300-26701,
AC1Q32XR,
CTK6F5310,
ZINC8855829,
AKOS033871225,
MCULE-1776402750,
NE17828,
AB00768139-01,
Z235345213,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.289g/mol |
| Monoisotopic Mass | 254.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number