1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide

C21H18F2N4O2 — CID 55638792

IUPAC1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H18F2N4O2/c1-11-20(12(2)27(26-11)18-7-4-14(22)10-16(18)23)21(29)24-15-5-6-17-13(9-15)3-8-19(28)25-17/h4-7,9-10H,3,8H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyICIPJCYZKKSRSI-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.90
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide

1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide (PubChem CID 55638792) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide
PubChem CID55638792
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H18F2N4O2/c1-11-20(12(2)27(26-11)18-7-4-14(22)10-16(18)23)21(29)24-15-5-6-17-13(9-15)3-8-19(28)25-17/h4-7,9-10H,3,8H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyICIPJCYZKKSRSI-UHFFFAOYSA-N
XLogP3.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide (CID 55638792) is 1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide?
The InChIKey is ICIPJCYZKKSRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c1-11-20(12(2)27(26-11)18-7-4-14(22)10-16(18)23)21(29)24-15-5-6-17-13(9-15)3-8-19(28)25-17/h4-7,9-10H,3,8H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3,5-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 55638792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).