N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

C25H23F3N2O2 — CID 69441277

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc2ccccc2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C25H23F3N2O2/c26-25(27,28)19-10-6-11-20(16-19)30-22-12-5-4-9-18(22)15-21(24(30)32)23(31)29-14-13-17-7-2-1-3-8-17/h4-7,9-12,15-16H,1-3,8,13-14H2,(H,29,31)
InChIKeyLQJDAPWFGDHUEF-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.63
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 69441277) has the molecular formula C25H23F3N2O2 and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID69441277
Molecular FormulaC25H23F3N2O2
Molecular Weight440.47 g/mol
Exact Mass440.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc2ccccc2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C25H23F3N2O2/c26-25(27,28)19-10-6-11-20(16-19)30-22-12-5-4-9-18(22)15-21(24(30)32)23(31)29-14-13-17-7-2-1-3-8-17/h4-7,9-12,15-16H,1-3,8,13-14H2,(H,29,31)
InChIKeyLQJDAPWFGDHUEF-UHFFFAOYSA-N
XLogP5.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 69441638
N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 69440372
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188623
N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 24720307
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 17492319
N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4087808
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132859
N-[2-(cyclohexen-1-yl)ethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 27666504
N-[2-(cyclohexen-1-yl)ethyl]-3-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110647531
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 69441277) is N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is O=C(NCCC1=CCCCC1)c1cc2ccccc2n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is LQJDAPWFGDHUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O2/c26-25(27,28)19-10-6-11-20(16-19)30-22-12-5-4-9-18(22)15-21(24(30)32)23(31)29-14-13-17-7-2-1-3-8-17/h4-7,9-12,15-16H,1-3,8,13-14H2,(H,29,31).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 69441277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).