(4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C21H28FN3O2 — CID 97134218

IUPAC(4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCC2(N3CCCCC3)CCCC2)c2cc(F)ccc2N1
InChIInChI=1S/C21H28FN3O2/c22-15-6-7-18-16(12-15)17(13-19(26)24-18)20(27)23-14-21(8-2-3-9-21)25-10-4-1-5-11-25/h6-7,12,17H,1-5,8-11,13-14H2,(H,23,27)(H,24,26)/t17-/m1/s1
InChIKeyGXNZJSAEBLKPMI-QGZVFWFLSA-N
MW373.47 g/mol
LogP3.17
Rot. Bonds4

About (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 97134218) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID97134218
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name(4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCC2(N3CCCCC3)CCCC2)c2cc(F)ccc2N1
InChIInChI=1S/C21H28FN3O2/c22-15-6-7-18-16(12-15)17(13-19(26)24-18)20(27)23-14-21(8-2-3-9-21)25-10-4-1-5-11-25/h6-7,12,17H,1-5,8-11,13-14H2,(H,23,27)(H,24,26)/t17-/m1/s1
InChIKeyGXNZJSAEBLKPMI-QGZVFWFLSA-N
XLogP3.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70711274
N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70781799
(4S)-6-fluoro-2-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97130921
(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41412645
6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70776023
(4R)-6-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97119524
6-fluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70735481
(4S)-N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97142730
(4S)-7-fluoro-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94158194
(4R)-N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97157046
6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 91298421
(4S)-N-[3-[1-(1,3-dioxolan-2-yl)cycloheptyl]propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95781327

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 97134218) is (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@@H](C(=O)NCC2(N3CCCCC3)CCCC2)c2cc(F)ccc2N1.
What is the InChIKey of (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is GXNZJSAEBLKPMI-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-15-6-7-18-16(12-15)17(13-19(26)24-18)20(27)23-14-21(8-2-3-9-21)25-10-4-1-5-11-25/h6-7,12,17H,1-5,8-11,13-14H2,(H,23,27)(H,24,26)/t17-/m1/s1.
What are the key properties of (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97134218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).