N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

C18H13F3N2O3 — CID 42589534

IUPACN-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C18H13F3N2O3/c1-26-14-8-3-2-7-13(14)23-17(25)11-9-22-15-10(16(11)24)5-4-6-12(15)18(19,20)21/h2-9H,1H3,(H,22,24)(H,23,25)
InChIKeyREMWWGPPRSJHJE-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.81
Rot. Bonds3

About N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 42589534) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID42589534
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC NameN-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O
InChIInChI=1S/C18H13F3N2O3/c1-26-14-8-3-2-7-13(14)23-17(25)11-9-22-15-10(16(11)24)5-4-6-12(15)18(19,20)21/h2-9H,1H3,(H,22,24)(H,23,25)
InChIKeyREMWWGPPRSJHJE-UHFFFAOYSA-N
XLogP3.81
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 53246411
N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 51053181
N-(7-chloro-2,8-dimethylquinolin-4-yl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 43860381
4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589550
1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 82391412
8-methoxy-N-(6-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831811
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-(3-bromophenyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831968
5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39851635
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
propan-2-yl 4-[(8-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 43831906
1-(3-chlorophenyl)-3-[[4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]thiourea
CID 56931558

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 42589534) is N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is COc1ccccc1NC(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O.
What is the InChIKey of N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is REMWWGPPRSJHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c1-26-14-8-3-2-7-13(14)23-17(25)11-9-22-15-10(16(11)24)5-4-6-12(15)18(19,20)21/h2-9H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 42589534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).