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

C23H30N2O2 — CID 155540222

IUPAC2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C23H30N2O2/c1-4-5-6-11-17-21(23(27)25-18-12-8-7-10-15(18)2)16(3)24-19-13-9-14-20(26)22(17)19/h7-8,10,12,17,24H,4-6,9,11,13-14H2,1-3H3,(H,25,27)
InChIKeyAQUSBQUOURZUPB-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.01
Rot. Bonds6

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

2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155540222) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155540222
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C23H30N2O2/c1-4-5-6-11-17-21(23(27)25-18-12-8-7-10-15(18)2)16(3)24-19-13-9-14-20(26)22(17)19/h7-8,10,12,17,24H,4-6,9,11,13-14H2,1-3H3,(H,25,27)
InChIKeyAQUSBQUOURZUPB-UHFFFAOYSA-N
XLogP5.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-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-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155540222) is 2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCCCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2.
What is the InChIKey of 2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is AQUSBQUOURZUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-5-6-11-17-21(23(27)25-18-12-8-7-10-15(18)2)16(3)24-19-13-9-14-20(26)22(17)19/h7-8,10,12,17,24H,4-6,9,11,13-14H2,1-3H3,(H,25,27).
What are the key properties of 2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-methyl-N-(2-methylphenyl)-5-oxo-4-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 5.01, 6 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-pentyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155540222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).