1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H17F3N4O2 — CID 51120389

IUPAC1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1C(F)(F)F)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H17F3N4O2/c1-9(10-3-5-13-11(7-10)4-6-14(25)23-13)22-16(26)12-8-21-24(2)15(12)17(18,19)20/h3,5,7-9H,4,6H2,1-2H3,(H,22,26)(H,23,25)
InChIKeySCHVEIQVBFRYAD-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.81
Rot. Bonds3

About 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 51120389) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID51120389
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1C(F)(F)F)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C17H17F3N4O2/c1-9(10-3-5-13-11(7-10)4-6-14(25)23-13)22-16(26)12-8-21-24(2)15(12)17(18,19)20/h3,5,7-9H,4,6H2,1-2H3,(H,22,26)(H,23,25)
InChIKeySCHVEIQVBFRYAD-UHFFFAOYSA-N
XLogP2.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamate
CID 94647057
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]indole-4-carboxamide
CID 56823797
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyridine-3-carboxamide
CID 166179612
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120734
3,6-dimethyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51118084
1,3-dimethyl-2,4-dioxo-N-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]pyrido[2,3-d]pyrimidine-7-carboxamide
CID 95157748
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
1-(4-chlorophenyl)-5-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 78890854
6-methyl-N-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-2-propoxypyridine-3-carboxamide
CID 124743707
2-(2-methoxyethylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide;hydrochloride
CID 119729824
5-(methoxymethyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]furan-2-carboxamide
CID 78890847
5-(2-fluorophenyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]furan-2-carboxamide
CID 119041127

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 51120389) is 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1C(F)(F)F)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SCHVEIQVBFRYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-9(10-3-5-13-11(7-10)4-6-14(25)23-13)22-16(26)12-8-21-24(2)15(12)17(18,19)20/h3,5,7-9H,4,6H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51120389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).