8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide

C19H15F3N2O3 — CID 162540354

IUPAC8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide
SMILESCOc1ccc(C)c2c(=O)cc(C(=O)Nc3ccccc3C(F)(F)F)[nH]c12
InChIInChI=1S/C19H15F3N2O3/c1-10-7-8-15(27-2)17-16(10)14(25)9-13(23-17)18(26)24-12-6-4-3-5-11(12)19(20,21)22/h3-9H,1-2H3,(H,23,25)(H,24,26)
InChIKeyXZDXWXPPCXLZQI-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.12
Rot. Bonds3

About 8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide

8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide (PubChem CID 162540354) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide
PubChem CID162540354
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide
SMILESCOc1ccc(C)c2c(=O)cc(C(=O)Nc3ccccc3C(F)(F)F)[nH]c12
InChIInChI=1S/C19H15F3N2O3/c1-10-7-8-15(27-2)17-16(10)14(25)9-13(23-17)18(26)24-12-6-4-3-5-11(12)19(20,21)22/h3-9H,1-2H3,(H,23,25)(H,24,26)
InChIKeyXZDXWXPPCXLZQI-UHFFFAOYSA-N
XLogP4.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxamide
CID 110860781
3-(2,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 46920331
3-(4-methoxy-3-methylphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 5083479
5-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 20963811
N-[2-(trifluoromethyl)phenyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978103
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
1,4,6-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860792
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2984505
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852
8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one
CID 162540376

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide?
The IUPAC name of 8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide (CID 162540354) is 8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide.
What is the SMILES notation for 8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide?
The canonical SMILES for 8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide is COc1ccc(C)c2c(=O)cc(C(=O)Nc3ccccc3C(F)(F)F)[nH]c12.
What is the InChIKey of 8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide?
The InChIKey is XZDXWXPPCXLZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-10-7-8-15(27-2)17-16(10)14(25)9-13(23-17)18(26)24-12-6-4-3-5-11(12)19(20,21)22/h3-9H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide?
8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide has a molecular weight of 376.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide is sourced from PubChem (CID 162540354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).