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

C24H21ClF2N4O2 — CID 174237792

IUPAC1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(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)
InChIKeyNWKWCMFUNKYFHZ-UHFFFAOYSA-N
MW470.91 g/mol
LogP4.30
Rot. Bonds3

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

1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 174237792) has the molecular formula C24H21ClF2N4O2 and a molecular weight of 470.91 g/mol. Its IUPAC name is 1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID174237792
Molecular FormulaC24H21ClF2N4O2
Molecular Weight470.91 g/mol
Exact Mass470.13
IUPAC Name1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(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)
InChIKeyNWKWCMFUNKYFHZ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide (CID 174237792) is 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 1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 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)C1CCCN(c2c(F)cc3[nH]c(-c4cc(C#N)ccc4Cl)cc(=O)c3c2F)C1.
What is the InChIKey of 1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is NWKWCMFUNKYFHZ-UHFFFAOYSA-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).
What are the key properties of 1-[2-(2-chloro-5-cyanophenyl)-5,7-difluoro-4-oxo-1H-quinolin-6-yl]-N,N-dimethylpiperidine-3-carboxamide?
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 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 174237792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).