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

C25H19F3N2O2 — CID 42749577

IUPAC2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)c3ccccc3n2)c1
InChIInChI=1S/C25H19F3N2O2/c1-32-19-9-5-7-17(13-19)23-14-21(20-10-2-3-11-22(20)30-23)24(31)29-15-16-6-4-8-18(12-16)25(26,27)28/h2-14H,15H2,1H3,(H,29,31)
InChIKeyWRLOKODVLSPMMH-UHFFFAOYSA-N
MW436.43 g/mol
LogP5.86
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide (PubChem CID 42749577) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
PubChem CID42749577
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC Name2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)c3ccccc3n2)c1
InChIInChI=1S/C25H19F3N2O2/c1-32-19-9-5-7-17(13-19)23-14-21(20-10-2-3-11-22(20)30-23)24(31)29-15-16-6-4-8-18(12-16)25(26,27)28/h2-14H,15H2,1H3,(H,29,31)
InChIKeyWRLOKODVLSPMMH-UHFFFAOYSA-N
XLogP5.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3414941
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
2-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749451
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
6-(3-methoxyphenyl)-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802083
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42750052
N-(1,2-diphenylethyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 42749565
2-tert-butyl-5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079994
2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 117090190
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide (CID 42749577) is 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The InChIKey is WRLOKODVLSPMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c1-32-19-9-5-7-17(13-19)23-14-21(20-10-2-3-11-22(20)30-23)24(31)29-15-16-6-4-8-18(12-16)25(26,27)28/h2-14H,15H2,1H3,(H,29,31).
What are the key properties of 2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 5.86, 5 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]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 42749577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).