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

C25H22ClF3N2O2 — CID 2902004

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(c2ccccc2C)C2=C(CCCC2=O)N1
InChIInChI=1S/C25H22ClF3N2O2/c1-13-6-3-4-7-16(13)22-21(14(2)30-18-8-5-9-20(32)23(18)22)24(33)31-19-12-15(25(27,28)29)10-11-17(19)26/h3-4,6-7,10-12,22,30H,5,8-9H2,1-2H3,(H,31,33)
InChIKeyFIPOYEIFKZLLTG-UHFFFAOYSA-N
MW474.91 g/mol
LogP6.27
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 2902004) has the molecular formula C25H22ClF3N2O2 and a molecular weight of 474.91 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID2902004
Molecular FormulaC25H22ClF3N2O2
Molecular Weight474.91 g/mol
Exact Mass474.13
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(c2ccccc2C)C2=C(CCCC2=O)N1
InChIInChI=1S/C25H22ClF3N2O2/c1-13-6-3-4-7-16(13)22-21(14(2)30-18-8-5-9-20(32)23(18)22)24(33)31-19-12-15(25(27,28)29)10-11-17(19)26/h3-4,6-7,10-12,22,30H,5,8-9H2,1-2H3,(H,31,33)
InChIKeyFIPOYEIFKZLLTG-UHFFFAOYSA-N
XLogP6.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.91
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 2902004) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C(c2ccccc2C)C2=C(CCCC2=O)N1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is FIPOYEIFKZLLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N2O2/c1-13-6-3-4-7-16(13)22-21(14(2)30-18-8-5-9-20(32)23(18)22)24(33)31-19-12-15(25(27,28)29)10-11-17(19)26/h3-4,6-7,10-12,22,30H,5,8-9H2,1-2H3,(H,31,33).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 474.91 g/mol, XLogP of 6.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-4-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 2902004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).