6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide

C19H15F3N2O3 — CID 38033463

IUPAC6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2c1
InChIInChI=1S/C19H15F3N2O3/c1-11-16(9-12-8-14(26-2)6-7-17(12)23-11)18(25)24-13-4-3-5-15(10-13)27-19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyFOTILLLNGGFPHD-UHFFFAOYSA-N
MW376.33 g/mol
LogP4.70
Rot. Bonds4

About 6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide

6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide (PubChem CID 38033463) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
PubChem CID38033463
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2c1
InChIInChI=1S/C19H15F3N2O3/c1-11-16(9-12-8-14(26-2)6-7-17(12)23-11)18(25)24-13-4-3-5-15(10-13)27-19(20,21)22/h3-10H,1-2H3,(H,24,25)
InChIKeyFOTILLLNGGFPHD-UHFFFAOYSA-N
XLogP4.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38204734
methyl 3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]benzoate
CID 41499824
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 46632736
N-(3-methoxyphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31853978
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
2-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]quinoline-3-carboxamide
CID 86981159
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 38258538
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 46467441
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
3-methoxy-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38033064
(E)-3-(4-methoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]prop-2-enamide
CID 886765

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide (CID 38033463) is 6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)Nc3cccc(OC(F)(F)F)c3)cc2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide?
The InChIKey is FOTILLLNGGFPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-11-16(9-12-8-14(26-2)6-7-17(12)23-11)18(25)24-13-4-3-5-15(10-13)27-19(20,21)22/h3-10H,1-2H3,(H,24,25).
What are the key properties of 6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide?
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide has a molecular weight of 376.33 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 38033463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).