| CAS Number | 1172884-04-6 |
| Catalog Number | AG019MNU |
| Chemical Name | 4-(pyrrolidin-1-yl)quinoline-3-carboxylic acid hydrochloride |
| IUPAC Name | 4-pyrrolidin-1-ylquinoline-3-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C14H14N2O2.ClH/c17-14(18)11-9-15-12-6-2-1-5-10(12)13(11)16-7-3-4-8-16;/h1-2,5-6,9H,3-4,7-8H2,(H,17,18);1H |
| InChI Key | YBXJBSBLLHQPOG-UHFFFAOYSA-N |
| MDL Number | MFCD11099419 |
| Molecular Formula | C14H15ClN2O2 |
| Molecular Weight | 278.7341 |
| SMILES | Cl.OC(C1=C(N2CCCC2)C2=C(C=CC=C2)N=C1)=O |
| Synonyms | 4-(pyrrolidin-1-yl)quinoline-3-carboxylic acid hydrochloride,
1172884-04-6,
4-pyrrolidin-1-ylquinoline-3-carboxylic acid hydrochloride,
AC1Q3EXE,
CTK7J0580,
MCULE-8530611831,
NE34045,
EN300-36750,
Z381061422,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.736g/mol |
| Monoisotopic Mass | 278.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number