1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C28H23ClF3N3O2 — CID 4873987

IUPAC1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C28H23ClF3N3O2/c29-20-11-12-23-22(15-20)24(17-6-2-1-3-7-17)25(27(37)34-23)35-13-5-8-18(16-35)26(36)33-21-10-4-9-19(14-21)28(30,31)32/h1-4,6-7,9-12,14-15,18H,5,8,13,16H2,(H,33,36)(H,34,37)
InChIKeyKGCWDZWRANNZFC-UHFFFAOYSA-N
MW525.96 g/mol
LogP6.72
Rot. Bonds4

About 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 4873987) has the molecular formula C28H23ClF3N3O2 and a molecular weight of 525.96 g/mol. Its IUPAC name is 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID4873987
Molecular FormulaC28H23ClF3N3O2
Molecular Weight525.96 g/mol
Exact Mass525.14
IUPAC Name1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1
InChIInChI=1S/C28H23ClF3N3O2/c29-20-11-12-23-22(15-20)24(17-6-2-1-3-7-17)25(27(37)34-23)35-13-5-8-18(16-35)26(36)33-21-10-4-9-19(14-21)28(30,31)32/h1-4,6-7,9-12,14-15,18H,5,8,13,16H2,(H,33,36)(H,34,37)
InChIKeyKGCWDZWRANNZFC-UHFFFAOYSA-N
XLogP6.72
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.96
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-phenylpiperidine-3-carboxamide
CID 40814784
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 4873996
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cyclohexylpiperidine-3-carboxamide
CID 4874001
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-cycloheptylpiperidine-3-carboxamide
CID 4874002
(3S)-1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 41090197
6-chloro-4-phenyl-3-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one
CID 40816906
6-chloro-3-[(3S)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one
CID 40816912
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 110860841
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 1303925
1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43919998
N-(3-chlorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53107163
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 4873987) is 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1.
What is the InChIKey of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is KGCWDZWRANNZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF3N3O2/c29-20-11-12-23-22(15-20)24(17-6-2-1-3-7-17)25(27(37)34-23)35-13-5-8-18(16-35)26(36)33-21-10-4-9-19(14-21)28(30,31)32/h1-4,6-7,9-12,14-15,18H,5,8,13,16H2,(H,33,36)(H,34,37).
What are the key properties of 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 525.96 g/mol, XLogP of 6.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 4873987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).