N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

C24H23F3N2O2 — CID 69440372

IUPACN-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc2ccccc2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H23F3N2O2/c25-24(26,27)18-10-6-11-19(14-18)29-21-12-5-4-9-17(21)13-20(23(29)31)22(30)28-15-16-7-2-1-3-8-16/h4-6,9-14,16H,1-3,7-8,15H2,(H,28,30)
InChIKeyGQLGXLJFFKNRLD-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.32
Rot. Bonds4

About N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 69440372) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID69440372
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC NameN-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc2ccccc2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H23F3N2O2/c25-24(26,27)18-10-6-11-19(14-18)29-21-12-5-4-9-17(21)13-20(23(29)31)22(30)28-15-16-7-2-1-3-8-16/h4-6,9-14,16H,1-3,7-8,15H2,(H,28,30)
InChIKeyGQLGXLJFFKNRLD-UHFFFAOYSA-N
XLogP5.32
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 69440372) is N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is O=C(NCC1CCCCC1)c1cc2ccccc2n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is GQLGXLJFFKNRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c25-24(26,27)18-10-6-11-19(14-18)29-21-12-5-4-9-17(21)13-20(23(29)31)22(30)28-15-16-7-2-1-3-8-16/h4-6,9-14,16H,1-3,7-8,15H2,(H,28,30).
What are the key properties of N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-oxo-1-[3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 69440372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).