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MLS000717656,ZINC00920331,ASN 04261455,SMR000287458,ST073516,6-Fluoro-

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摘 要:MLS000717656,ZINC00920331,ASN 04261455,SMR000287458,ST073516,6-Fluoro-2-methyl-quinoline-4-carboxylic acid cyclohexylamide, N-cyclohexyl-6-fluoro-2-methylquinoline-4-carboxamide,Canonical SMILES: CC1=NC2=C(C=C(C=C2)F)C(=C1)C(=O)NC3CCCCC3,InChI: InChI
[Synonyms]
MLS000717656
ZINC00920331
ASN 04261455
SMR000287458
ST073516
6-Fluoro-2-methyl-quinoline-4-carboxylic acid cyclohexylamide

[Structure]
MLS000717656,ZINC00920331,ASN 04261455,SMR000287458,ST073516,6-Fluoro-

[ Properties Computed from Structure]
Molecular Weight286.343963 [g/mol]
Molecular FormulaC17H19FN2O
XLogP3.8
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count2
Tautomer Count2
Exact Mass286.148141
MonoIsotopic Mass286.148141
Topological Polar Surface Area42
Heavy Atom Count21
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-cyclohexyl-6-fluoro-2-methylquinoline-4-carboxamide
Canonical SMILES: CC1=NC2=C(C=C(C=C2)F)C(=C1)C(=O)NC3CCCCC3
InChI: InChI=1/C17H19FN2O/c1-11-9-15(14-10-12(18)7-8-16(14)19-11)17(21)20-13-5-
3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,20,21)/f/h20H

 
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