N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C21H19FN4O2 — CID 119044161

IUPACN-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCc1ccc(-n2cc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)cn2)c(C)c1
InChIInChI=1S/C21H19FN4O2/c1-12-3-5-19(13(2)7-12)26-11-15(10-23-26)24-21(28)16-8-14-4-6-20(27)25-18(14)9-17(16)22/h3,5,7-11H,4,6H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyISIATOFHWANTPR-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.77
Rot. Bonds3

About N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 119044161) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID119044161
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCc1ccc(-n2cc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)cn2)c(C)c1
InChIInChI=1S/C21H19FN4O2/c1-12-3-5-19(13(2)7-12)26-11-15(10-23-26)24-21(28)16-8-14-4-6-20(27)25-18(14)9-17(16)22/h3,5,7-11H,4,6H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyISIATOFHWANTPR-UHFFFAOYSA-N
XLogP3.77
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methyl-2-(2-oxopyrrolidin-1-yl)benzamide
CID 146090066
7-fluoro-N-[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 167970882
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091063
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091062
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide
CID 128787355
1-(3,5-dimethylphenyl)-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-methylpyrazole-3-carboxamide
CID 119043799
3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
CID 166276401
6-[2-(3,4-dimethylphenyl)sulfanylacetyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 71894605
2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-3-carboxamide
CID 55611749
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 120534807

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 119044161) is N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is Cc1ccc(-n2cc(NC(=O)c3cc4c(cc3F)NC(=O)CC4)cn2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is ISIATOFHWANTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-12-3-5-19(13(2)7-12)26-11-15(10-23-26)24-21(28)16-8-14-4-6-20(27)25-18(14)9-17(16)22/h3,5,7-11H,4,6H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 119044161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).