2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C26H28N2O2 — CID 155560731

IUPAC2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(CCc2ccccc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C26H28N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,20,27H,8,13-16H2,1-2H3,(H,28,30)
InChIKeyHCSRAEDXQFFQQW-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.07
Rot. Bonds5

About 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155560731) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155560731
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(CCc2ccccc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C26H28N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,20,27H,8,13-16H2,1-2H3,(H,28,30)
InChIKeyHCSRAEDXQFFQQW-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-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 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155560731) is 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(CCc2ccccc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is HCSRAEDXQFFQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-17-9-6-7-12-21(17)28-26(30)24-18(2)27-22-13-8-14-23(29)25(22)20(24)16-15-19-10-4-3-5-11-19/h3-7,9-12,20,27H,8,13-16H2,1-2H3,(H,28,30).
What are the key properties of 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylphenyl)-5-oxo-4-(2-phenylethyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155560731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).