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753487-57-9 | 2-Quinolinecarboxylic acid, 4,8-dicyclopentyl-, methyl ester
CAS No: 753487-57-9 Catalog No: AG005M2L MDL No:
Product Description
Catalog Number:
AG005M2L
Chemical Name:
2-Quinolinecarboxylic acid, 4,8-dicyclopentyl-, methyl ester
CAS Number:
753487-57-9
Molecular Formula:
C21H25NO2
Molecular Weight:
323.4287
IUPAC Name:
methyl 4,8-dicyclopentylquinoline-2-carboxylate
InChI:
InChI=1S/C21H25NO2/c1-24-21(23)19-13-18(15-9-4-5-10-15)17-12-6-11-16(20(17)22-19)14-7-2-3-8-14/h6,11-15H,2-5,7-10H2,1H3
InChI Key:
DMAJYLDKWIPLPV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C2CCCC2)c2c(n1)c(ccc2)C1CCCC1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.436g/mol
Monoisotopic Mass:
323.189g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial activities of ring-substituted quinolinecarboxylic acid/ester analogues. Part 1. | Bioorganic & medicinal chemistry 20040801 |
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