| CAS Number | 1017199-72-2 |
| Catalog Number | AG01A9D4 |
| Chemical Name | 2-(Pyrrolidin-1-yl)quinoline-3-carboxylic acid |
| IUPAC Name | 2-pyrrolidin-1-ylquinoline-3-carboxylic acid |
| InChI | InChI=1S/C14H14N2O2/c17-14(18)11-9-10-5-1-2-6-12(10)15-13(11)16-7-3-4-8-16/h1-2,5-6,9H,3-4,7-8H2,(H,17,18) |
| InChI Key | IPLRIFOYICTCRM-UHFFFAOYSA-N |
| MDL Number | MFCD09896464 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | OC(C1=C(N2CCCC2)N=C2C(C=CC=C2)=C1)=O |
| Synonyms | 2-(pyrrolidin-1-yl)quinoline-3-carboxylic acid,
1017199-72-2,
AC1Q72D8,
ZINC11986971,
AKOS005202879,
MCULE-6261702992,
NE44070,
EN300-64751,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.278g/mol |
| Monoisotopic Mass | 242.106g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number