N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide

C26H21F3N2O2 — CID 30133766

IUPACN-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C26H21F3N2O2/c1-2-31-16-21(24(32)20-15-19(26(27,28)29)13-14-22(20)31)25(33)30-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,23H,2H2,1H3,(H,30,33)
InChIKeyVRHYRPOTVRKLFA-UHFFFAOYSA-N
MW450.46 g/mol
LogP5.56
Rot. Bonds5

About N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide

N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide (PubChem CID 30133766) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
PubChem CID30133766
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC NameN-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C26H21F3N2O2/c1-2-31-16-21(24(32)20-15-19(26(27,28)29)13-14-22(20)31)25(33)30-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,23H,2H2,1H3,(H,30,33)
InChIKeyVRHYRPOTVRKLFA-UHFFFAOYSA-N
XLogP5.56
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[(2S)-1-methoxypropan-2-yl]-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133768
1-ethyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133803
N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133604
1-ethyl-N-(3-methoxypropyl)-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133526
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
N-(2,5-difluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133811
N-(4-bromo-2-fluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133617
3-(4-benzylpiperidine-1-carbonyl)-1-ethyl-6-(trifluoromethyl)quinolin-4-one
CID 30133681
1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide
CID 43888780
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 43888757

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The IUPAC name of N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide (CID 30133766) is N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide.
What is the SMILES notation for N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The canonical SMILES for N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
The InChIKey is VRHYRPOTVRKLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c1-2-31-16-21(24(32)20-15-19(26(27,28)29)13-14-22(20)31)25(33)30-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,23H,2H2,1H3,(H,30,33).
What are the key properties of N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide?
N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide has a molecular weight of 450.46 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide is sourced from PubChem (CID 30133766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).