(3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide

C24H21ClF2N4O2 — CID 164916879

IUPAC(3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN(c2c(F)cc3[nH]c(-c4cc(C#N)ccc4Cl)cc(=O)c3c2F)C1
InChIInChI=1S/C24H21ClF2N4O2/c1-30(2)24(33)14-4-3-7-31(12-14)23-17(26)9-19-21(22(23)27)20(32)10-18(29-19)15-8-13(11-28)5-6-16(15)25/h5-6,8-10,14H,3-4,7,12H2,1-2H3,(H,29,32)/t14-/m1/s1
InChIKeyNWKWCMFUNKYFHZ-CQSZACIVSA-N
MW470.91 g/mol
LogP4.30
Rot. Bonds3

About (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide

(3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 164916879) has the molecular formula C24H21ClF2N4O2 and a molecular weight of 470.91 g/mol. Its IUPAC name is (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID164916879
Molecular FormulaC24H21ClF2N4O2
Molecular Weight470.91 g/mol
Exact Mass470.13
IUPAC Name(3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)[C@@H]1CCCN(c2c(F)cc3[nH]c(-c4cc(C#N)ccc4Cl)cc(=O)c3c2F)C1
InChIInChI=1S/C24H21ClF2N4O2/c1-30(2)24(33)14-4-3-7-31(12-14)23-17(26)9-19-21(22(23)27)20(32)10-18(29-19)15-8-13(11-28)5-6-16(15)25/h5-6,8-10,14H,3-4,7,12H2,1-2H3,(H,29,32)/t14-/m1/s1
InChIKeyNWKWCMFUNKYFHZ-CQSZACIVSA-N
XLogP4.30
TPSA80.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.91
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 174237792
4-chloro-3-(5,7-difluoro-4-oxo-6-piperazin-1-yl-1H-quinolin-2-yl)benzonitrile
CID 164916800
4-chloro-3-(5,7-difluoro-6-morpholin-4-yl-4-oxo-1H-quinolin-2-yl)benzonitrile
CID 164916884
4-chloro-3-(5,6,7-trifluoro-4-oxo-1H-quinolin-2-yl)benzonitrile
CID 164916772
4-chloro-3-(5,7-difluoro-6-methyl-4-oxo-1H-quinolin-2-yl)benzonitrile
CID 164916746
5-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-2,4-difluoro-N,N-dimethylbenzamide
CID 164916805
4-chloro-3-[5,7-difluoro-6-(methoxymethyl)-4-oxo-1H-quinolin-2-yl]benzonitrile
CID 164916750
1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide
CID 133304205
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
1-(4-cyano-2,6-difluorophenyl)piperidine-3-carboxylic acid
CID 81293301
(3S)-1-(3-cyanophenyl)sulfonyl-N,N-dimethylpiperidine-3-carboxamide
CID 94801085
1-[2-(4-cyanoanilino)acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 51099242

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide (CID 164916879) is (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)[C@@H]1CCCN(c2c(F)cc3[nH]c(-c4cc(C#N)ccc4Cl)cc(=O)c3c2F)C1.
What is the InChIKey of (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is NWKWCMFUNKYFHZ-CQSZACIVSA-N. The full InChI is InChI=1S/C24H21ClF2N4O2/c1-30(2)24(33)14-4-3-7-31(12-14)23-17(26)9-19-21(22(23)27)20(32)10-18(29-19)15-8-13(11-28)5-6-16(15)25/h5-6,8-10,14H,3-4,7,12H2,1-2H3,(H,29,32)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
(3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 470.91 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 164916879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).