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

C22H28N2O2 — CID 155561832

IUPAC4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C22H28N2O2/c1-4-5-10-16-20(22(26)24-17-11-7-6-9-14(17)2)15(3)23-18-12-8-13-19(25)21(16)18/h6-7,9,11,16,23H,4-5,8,10,12-13H2,1-3H3,(H,24,26)
InChIKeyZWMOHKAOINKCSP-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.62
Rot. Bonds5

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

4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155561832) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155561832
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCCCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2
InChIInChI=1S/C22H28N2O2/c1-4-5-10-16-20(22(26)24-17-11-7-6-9-14(17)2)15(3)23-18-12-8-13-19(25)21(16)18/h6-7,9,11,16,23H,4-5,8,10,12-13H2,1-3H3,(H,24,26)
InChIKeyZWMOHKAOINKCSP-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155561832) is 4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CCCCC1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CCC2.
What is the InChIKey of 4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is ZWMOHKAOINKCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-5-10-16-20(22(26)24-17-11-7-6-9-14(17)2)15(3)23-18-12-8-13-19(25)21(16)18/h6-7,9,11,16,23H,4-5,8,10,12-13H2,1-3H3,(H,24,26).
What are the key properties of 4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155561832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).