6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide

C21H22FN3O2 — CID 91298421

IUPAC6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NN2CCCC(c3ccccc3)C2)c2cc(F)ccc2N1
InChIInChI=1S/C21H22FN3O2/c22-16-8-9-19-17(11-16)18(12-20(26)23-19)21(27)24-25-10-4-7-15(13-25)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,18H,4,7,10,12-13H2,(H,23,26)(H,24,27)
InChIKeyKHPKXCXZXRNYBM-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.16
Rot. Bonds3

About 6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide

6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 91298421) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID91298421
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NN2CCCC(c3ccccc3)C2)c2cc(F)ccc2N1
InChIInChI=1S/C21H22FN3O2/c22-16-8-9-19-17(11-16)18(12-20(26)23-19)21(27)24-25-10-4-7-15(13-25)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,18H,4,7,10,12-13H2,(H,23,26)(H,24,27)
InChIKeyKHPKXCXZXRNYBM-UHFFFAOYSA-N
XLogP3.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-fluoro-4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97113259
7-fluoro-2-oxo-N-[(3-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 167920082
(4R)-6-fluoro-2-oxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97134218
6-fluoro-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70764704
1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 97311297
7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46470691
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-5-phenylpentanoic acid
CID 120547282
N-(3-cyclohexylsulfanylpropyl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70781799
(4R)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51956671
(4S)-4-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 124993796
6-fluoro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70776023
(4R)-7-fluoro-2-oxo-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41412645

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 91298421) is 6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NN2CCCC(c3ccccc3)C2)c2cc(F)ccc2N1.
What is the InChIKey of 6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is KHPKXCXZXRNYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-16-8-9-19-17(11-16)18(12-20(26)23-19)21(27)24-25-10-4-7-15(13-25)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,15,18H,4,7,10,12-13H2,(H,23,26)(H,24,27).
What are the key properties of 6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide?
6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-oxo-N-(3-phenylpiperidin-1-yl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 91298421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).