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753487-58-0 | 2-Quinolinecarboxylic acid, 4-cyclohexyl-, methyl ester
CAS No: 753487-58-0 Catalog No: AG005BYN MDL No:
Product Description
Catalog Number:
AG005BYN
Chemical Name:
2-Quinolinecarboxylic acid, 4-cyclohexyl-, methyl ester
CAS Number:
753487-58-0
Molecular Formula:
C17H19NO2
Molecular Weight:
269.3383
IUPAC Name:
methyl 4-cyclohexylquinoline-2-carboxylate
InChI:
InChI=1S/C17H19NO2/c1-20-17(19)16-11-14(12-7-3-2-4-8-12)13-9-5-6-10-15(13)18-16/h5-6,9-12H,2-4,7-8H2,1H3
InChI Key:
HHDSPKFXXLIBLD-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2ccccc2c(c1)C1CCCCC1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.142g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.344g/mol
Monoisotopic Mass:
269.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial activities of ring-substituted quinolinecarboxylic acid/ester analogues. Part 1. | Bioorganic & medicinal chemistry 20040801 |
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