2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide

C18H13F3N2O2 — CID 38258538

IUPAC2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C18H13F3N2O2/c1-11-9-15(14-7-2-3-8-16(14)22-11)17(24)23-12-5-4-6-13(10-12)25-18(19,20)21/h2-10H,1H3,(H,23,24)
InChIKeyLYWYJUJYUQTWJS-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.69
Rot. Bonds3

About 2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide

2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide (PubChem CID 38258538) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
PubChem CID38258538
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C18H13F3N2O2/c1-11-9-15(14-7-2-3-8-16(14)22-11)17(24)23-12-5-4-6-13(10-12)25-18(19,20)21/h2-10H,1H3,(H,23,24)
InChIKeyLYWYJUJYUQTWJS-UHFFFAOYSA-N
XLogP4.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
N-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 38032613
N-hydroxy-2-methyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 82574511
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484557
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463
2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 59014806
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
methyl 2-[4-[(2-methylquinoline-4-carbonyl)amino]phenoxy]acetate
CID 55708999
N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55778991

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide (CID 38258538) is 2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide is Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
The InChIKey is LYWYJUJYUQTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-11-9-15(14-7-2-3-8-16(14)22-11)17(24)23-12-5-4-6-13(10-12)25-18(19,20)21/h2-10H,1H3,(H,23,24).
What are the key properties of 2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide?
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 38258538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).