1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide

C23H22N4O2 — CID 72934825

IUPAC1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2cc(=O)n(C)c3ccccc23)cnn1-c1ccccc1
InChIInChI=1S/C23H22N4O2/c1-15(20-14-24-27(16(20)2)17-9-5-4-6-10-17)25-23(29)19-13-22(28)26(3)21-12-8-7-11-18(19)21/h4-15H,1-3H3,(H,25,29)
InChIKeySXPAVSCPKXPXRN-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.52
Rot. Bonds4

About 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide

1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide (PubChem CID 72934825) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide
PubChem CID72934825
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide
SMILESCc1c(C(C)NC(=O)c2cc(=O)n(C)c3ccccc23)cnn1-c1ccccc1
InChIInChI=1S/C23H22N4O2/c1-15(20-14-24-27(16(20)2)17-9-5-4-6-10-17)25-23(29)19-13-22(28)26(3)21-12-8-7-11-18(19)21/h4-15H,1-3H3,(H,25,29)
InChIKeySXPAVSCPKXPXRN-UHFFFAOYSA-N
XLogP3.52
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55761547
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55758083
N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 72908148
1,3-dimethyl-N-[1-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]ethyl]-2,6-dioxopyrimidine-4-carboxamide
CID 45223694
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 99927276
N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-5-phenoxyfuran-2-carboxamide
CID 42392061
1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide
CID 92625902
3-ethyl-5-methyl-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 95150313
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695225
N-[2-[[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94806257
N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-3-(1,2-oxazolidin-2-yl)propanamide
CID 45239752

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide (CID 72934825) is 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide is Cc1c(C(C)NC(=O)c2cc(=O)n(C)c3ccccc23)cnn1-c1ccccc1.
What is the InChIKey of 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is SXPAVSCPKXPXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15(20-14-24-27(16(20)2)17-9-5-4-6-10-17)25-23(29)19-13-22(28)26(3)21-12-8-7-11-18(19)21/h4-15H,1-3H3,(H,25,29).
What are the key properties of 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 72934825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).