4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C24H20ClF3N2O2 — CID 3729001

IUPAC4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccccc2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C24H20ClF3N2O2/c1-13-20(23(32)30-15-7-4-6-14(12-15)24(26,27)28)21(16-8-2-3-9-17(16)25)22-18(29-13)10-5-11-19(22)31/h2-4,6-9,12,21,29H,5,10-11H2,1H3,(H,30,32)
InChIKeyNFUHHUIGNIHWIH-UHFFFAOYSA-N
MW460.88 g/mol
LogP5.97
Rot. Bonds3

About 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3729001) has the molecular formula C24H20ClF3N2O2 and a molecular weight of 460.88 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3729001
Molecular FormulaC24H20ClF3N2O2
Molecular Weight460.88 g/mol
Exact Mass460.12
IUPAC Name4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccccc2Cl)C2=C(CCCC2=O)N1
InChIInChI=1S/C24H20ClF3N2O2/c1-13-20(23(32)30-15-7-4-6-14(12-15)24(26,27)28)21(16-8-2-3-9-17(16)25)22-18(29-13)10-5-11-19(22)31/h2-4,6-9,12,21,29H,5,10-11H2,1H3,(H,30,32)
InChIKeyNFUHHUIGNIHWIH-UHFFFAOYSA-N
XLogP5.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.88
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3729001) is 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)C(c2ccccc2Cl)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is NFUHHUIGNIHWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O2/c1-13-20(23(32)30-15-7-4-6-14(12-15)24(26,27)28)21(16-8-2-3-9-17(16)25)22-18(29-13)10-5-11-19(22)31/h2-4,6-9,12,21,29H,5,10-11H2,1H3,(H,30,32).
What are the key properties of 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 460.88 g/mol, XLogP of 5.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3729001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).