2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide

C22H24N2O2 — CID 46301191

IUPAC2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(C)c1)n1c(=O)cc(C)c2cccc(C)c21
InChIInChI=1S/C22H24N2O2/c1-5-19(22(26)23-17-10-6-8-14(2)12-17)24-20(25)13-16(4)18-11-7-9-15(3)21(18)24/h6-13,19H,5H2,1-4H3,(H,23,26)
InChIKeyAGPNNHRMJVTJMG-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.52
Rot. Bonds4

About 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide

2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide (PubChem CID 46301191) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide
PubChem CID46301191
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(C)c1)n1c(=O)cc(C)c2cccc(C)c21
InChIInChI=1S/C22H24N2O2/c1-5-19(22(26)23-17-10-6-8-14(2)12-17)24-20(25)13-16(4)18-11-7-9-15(3)21(18)24/h6-13,19H,5H2,1-4H3,(H,23,26)
InChIKeyAGPNNHRMJVTJMG-UHFFFAOYSA-N
XLogP4.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide (CID 46301191) is 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide is CCC(C(=O)Nc1cccc(C)c1)n1c(=O)cc(C)c2cccc(C)c21.
What is the InChIKey of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide?
The InChIKey is AGPNNHRMJVTJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-5-19(22(26)23-17-10-6-8-14(2)12-17)24-20(25)13-16(4)18-11-7-9-15(3)21(18)24/h6-13,19H,5H2,1-4H3,(H,23,26).
What are the key properties of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide?
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide has a molecular weight of 348.45 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 46301191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).