(4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C20H21FN2O2S — CID 97126877

IUPAC(4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)N(Cc2ccsc2)C2CCCC2)c2cc(F)ccc2N1
InChIInChI=1S/C20H21FN2O2S/c21-14-5-6-18-16(9-14)17(10-19(24)22-18)20(25)23(15-3-1-2-4-15)11-13-7-8-26-12-13/h5-9,12,15,17H,1-4,10-11H2,(H,22,24)/t17-/m1/s1
InChIKeyPIIXPPSQULGOKH-QGZVFWFLSA-N
MW372.47 g/mol
LogP4.28
Rot. Bonds4

About (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97126877) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID97126877
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name(4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)N(Cc2ccsc2)C2CCCC2)c2cc(F)ccc2N1
InChIInChI=1S/C20H21FN2O2S/c21-14-5-6-18-16(9-14)17(10-19(24)22-18)20(25)23(15-3-1-2-4-15)11-13-7-8-26-12-13/h5-9,12,15,17H,1-4,10-11H2,(H,22,24)/t17-/m1/s1
InChIKeyPIIXPPSQULGOKH-QGZVFWFLSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46588673
N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70752414
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
(4S)-6-fluoro-N-methyl-2-oxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97149530
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718
(3S)-N-cyclopropyl-1-(3,4-difluorophenyl)-2-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95185961
(4S)-6-fluoro-2-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97130921
7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119530758
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61165801

Frequently Asked Questions

What is the IUPAC name of (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97126877) is (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@@H](C(=O)N(Cc2ccsc2)C2CCCC2)c2cc(F)ccc2N1.
What is the InChIKey of (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is PIIXPPSQULGOKH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c21-14-5-6-18-16(9-14)17(10-19(24)22-18)20(25)23(15-3-1-2-4-15)11-13-7-8-26-12-13/h5-9,12,15,17H,1-4,10-11H2,(H,22,24)/t17-/m1/s1.
What are the key properties of (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-cyclopentyl-6-fluoro-2-oxo-N-(thiophen-3-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97126877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).