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

C26H28N2O2 — CID 3142521

IUPAC4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C26H28N2O2/c1-4-18-12-14-19(15-13-18)24-23(26(30)28-20-9-6-5-8-16(20)2)17(3)27-21-10-7-11-22(29)25(21)24/h5-6,8-9,12-15,24,27H,4,7,10-11H2,1-3H3,(H,28,30)
InChIKeyVJEHNGRJRSDSME-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.16
Rot. Bonds4

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

4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 3142521) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID3142521
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C26H28N2O2/c1-4-18-12-14-19(15-13-18)24-23(26(30)28-20-9-6-5-8-16(20)2)17(3)27-21-10-7-11-22(29)25(21)24/h5-6,8-9,12-15,24,27H,4,7,10-11H2,1-3H3,(H,28,30)
InChIKeyVJEHNGRJRSDSME-UHFFFAOYSA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-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

Related Compounds

CID 4043316
CID 4043316
CID 316235
CID 316235
CID 2834825
CID 2834825
CID 97474
CID 97474
CID 248375
CID 248375
CID 254805
CID 254805
CID 1019926
CID 1019926
CID 880488
CID 880488
CID 1273259
CID 1273259
CID 1992371
CID 1992371
CID 2536119
CID 2536119
CID 3153362
CID 3153362

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 3142521) is 4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is VJEHNGRJRSDSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-4-18-12-14-19(15-13-18)24-23(26(30)28-20-9-6-5-8-16(20)2)17(3)27-21-10-7-11-22(29)25(21)24/h5-6,8-9,12-15,24,27H,4,7,10-11H2,1-3H3,(H,28,30).
What are the key properties of 4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 400.52 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3142521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).