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753487-54-6 | 2-Quinolinecarboxylic acid, 4-cyclopentyl-, methyl ester
CAS No: 753487-54-6 Catalog No: AG005BYO MDL No:
Product Description
Catalog Number:
AG005BYO
Chemical Name:
2-Quinolinecarboxylic acid, 4-cyclopentyl-, methyl ester
CAS Number:
753487-54-6
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
methyl 4-cyclopentylquinoline-2-carboxylate
InChI:
InChI=1S/C16H17NO2/c1-19-16(18)15-10-13(11-6-2-3-7-11)12-8-4-5-9-14(12)17-15/h4-5,8-11H,2-3,6-7H2,1H3
InChI Key:
CEWONNKTYJXHMB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C2CCCC2)c2c(n1)cccc2
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial activities of ring-substituted quinolinecarboxylic acid/ester analogues. Part 1. | Bioorganic & medicinal chemistry 20040801 |
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