2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C24H17F3N2O2 — CID 3414941

IUPAC2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)c1
InChIInChI=1S/C24H17F3N2O2/c1-31-18-9-4-6-15(12-18)22-14-20(19-10-2-3-11-21(19)29-22)23(30)28-17-8-5-7-16(13-17)24(25,26)27/h2-14H,1H3,(H,28,30)
InChIKeyAZSVHEBEAQSGSP-UHFFFAOYSA-N
MW422.41 g/mol
LogP6.18
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide

2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 3414941) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID3414941
Molecular FormulaC24H17F3N2O2
Molecular Weight422.41 g/mol
Exact Mass422.12
IUPAC Name2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)c1
InChIInChI=1S/C24H17F3N2O2/c1-31-18-9-4-6-15(12-18)22-14-20(19-10-2-3-11-21(19)29-22)23(30)28-17-8-5-7-16(13-17)24(25,26)27/h2-14H,1H3,(H,28,30)
InChIKeyAZSVHEBEAQSGSP-UHFFFAOYSA-N
XLogP6.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
2-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2163462
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide
CID 4275596
2-(3-methoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide
CID 4643852
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
2-(5-bromothiophen-2-yl)-N-(3-methoxyphenyl)quinoline-4-carboxamide
CID 15997152
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4061501
6-(4-methoxyphenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801357
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 3414941) is 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is AZSVHEBEAQSGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c1-31-18-9-4-6-15(12-18)22-14-20(19-10-2-3-11-21(19)29-22)23(30)28-17-8-5-7-16(13-17)24(25,26)27/h2-14H,1H3,(H,28,30).
What are the key properties of 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 6.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 3414941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).