3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide

C22H24N2O2 — CID 39764526

IUPAC3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)c(C)c1
InChIInChI=1S/C22H24N2O2/c1-14-8-9-19(17(4)12-14)23-20(25)10-11-24-21(26)13-16(3)18-7-5-6-15(2)22(18)24/h5-9,12-13H,10-11H2,1-4H3,(H,23,25)
InChIKeyYABOUWILFGWNHF-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.26
Rot. Bonds4

About 3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide

3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 39764526) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide
PubChem CID39764526
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)c(C)c1
InChIInChI=1S/C22H24N2O2/c1-14-8-9-19(17(4)12-14)23-20(25)10-11-24-21(26)13-16(3)18-7-5-6-15(2)22(18)24/h5-9,12-13H,10-11H2,1-4H3,(H,23,25)
InChIKeyYABOUWILFGWNHF-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide (CID 39764526) is 3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCn2c(=O)cc(C)c3cccc(C)c32)c(C)c1.
What is the InChIKey of 3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is YABOUWILFGWNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14-8-9-19(17(4)12-14)23-20(25)10-11-24-21(26)13-16(3)18-7-5-6-15(2)22(18)24/h5-9,12-13H,10-11H2,1-4H3,(H,23,25).
What are the key properties of 3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 39764526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).