N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide

C21H19FN2OS — CID 4185757

IUPACN-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Sc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C21H19FN2OS/c22-14-9-11-16(12-10-14)26-20-13-18(17-7-3-4-8-19(17)24-20)21(25)23-15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6H2,(H,23,25)
InChIKeyZMWBTAKJWQKVOX-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.20
Rot. Bonds4

About N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide

N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide (PubChem CID 4185757) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
PubChem CID4185757
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC NameN-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(Sc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C21H19FN2OS/c22-14-9-11-16(12-10-14)26-20-13-18(17-7-3-4-8-19(17)24-20)21(25)23-15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6H2,(H,23,25)
InChIKeyZMWBTAKJWQKVOX-UHFFFAOYSA-N
XLogP5.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216224
2-(4-chlorophenyl)sulfanyl-N-(2-methylcyclohexyl)quinoline-4-carboxamide
CID 22421377
2-(4-fluorophenyl)sulfanylquinoline-4-carboxylate
CID 4550951
2-[1-(cycloheptylamino)-1-oxopropan-2-yl]sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 46647045
2-(4-chlorophenyl)sulfanyl-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]quinoline-4-carboxamide
CID 124772788
2-(4-chlorophenyl)sulfanyl-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide
CID 22421378
diethyl-[3-[[2-(4-fluorophenyl)sulfanylquinoline-4-carbonyl]amino]propyl]azanium
CID 5069378
N-cyclopropyl-2-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 46645988
N-cyclopropyl-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27624686
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-(4-aminocyclohexyl)-2-(4-fluorophenyl)quinoline-4-carboxamide;dihydrochloride
CID 119476850
N-[(1R,2S)-2-methylcyclohexyl]-2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxamide
CID 92696494

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide (CID 4185757) is N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide is O=C(NC1CCCC1)c1cc(Sc2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide?
The InChIKey is ZMWBTAKJWQKVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2OS/c22-14-9-11-16(12-10-14)26-20-13-18(17-7-3-4-8-19(17)24-20)21(25)23-15-5-1-2-6-15/h3-4,7-13,15H,1-2,5-6H2,(H,23,25).
What are the key properties of N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide?
N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-fluorophenyl)sulfanylquinoline-4-carboxamide is sourced from PubChem (CID 4185757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).