N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide

C26H21F3N2O — CID 90749427

IUPACN-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCc1cccc(CNC(=O)c2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)c1
InChIInChI=1S/C26H21F3N2O/c1-2-17-8-6-9-18(14-17)15-31-25(32)21-16-30-24-20(12-7-13-22(24)26(27,28)29)23(21)19-10-4-3-5-11-19/h3-14,16H,2,15H2,1H3,(H,31,32)
InChIKeyJBCSHQHOQQMWRL-UHFFFAOYSA-N
MW434.46 g/mol
LogP6.41
Rot. Bonds5

About N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide

N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 90749427) has the molecular formula C26H21F3N2O and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID90749427
Molecular FormulaC26H21F3N2O
Molecular Weight434.46 g/mol
Exact Mass434.16
IUPAC NameN-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCc1cccc(CNC(=O)c2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)c1
InChIInChI=1S/C26H21F3N2O/c1-2-17-8-6-9-18(14-17)15-31-25(32)21-16-30-24-20(12-7-13-22(24)26(27,28)29)23(21)19-10-4-3-5-11-19/h3-14,16H,2,15H2,1H3,(H,31,32)
InChIKeyJBCSHQHOQQMWRL-UHFFFAOYSA-N
XLogP6.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N,4-diphenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914315
1-[[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methyl]-3-(2-fluorophenyl)urea
CID 66914239
[4-[3-(ethylamino)phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914483
[4-[3-[[(2-methylsulfanylphenyl)methylamino]methyl]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66913645
N-methyl-N-(4-methylphenyl)-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914477
[4-[3-[(3-ethenylphenyl)methylamino]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914391
(3-methylthiophen-2-yl)-[4-phenyl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 66914336
N-(2-methoxyphenyl)-N-methyl-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 66914400
2-[4-[[4-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]acetic acid
CID 68813456
2-fluoro-6-[[3-[3-methyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]benzoic acid
CID 68979150
2-[5-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methylamino]naphthalen-1-yl]acetic acid
CID 24936142
7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3447380

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide (CID 90749427) is N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide is CCc1cccc(CNC(=O)c2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)c1.
What is the InChIKey of N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is JBCSHQHOQQMWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O/c1-2-17-8-6-9-18(14-17)15-31-25(32)21-16-30-24-20(12-7-13-22(24)26(27,28)29)23(21)19-10-4-3-5-11-19/h3-14,16H,2,15H2,1H3,(H,31,32).
What are the key properties of N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide?
N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 90749427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).