2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide

C24H28N2O2 — CID 59110422

IUPAC2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(-c2ccc(C)cc2)c(=O)c2c(C)ccc(C)c21
InChIInChI=1S/C24H28N2O2/c1-6-25(7-2)21(27)15-26-14-20(19-12-8-16(3)9-13-19)24(28)22-17(4)10-11-18(5)23(22)26/h8-14H,6-7,15H2,1-5H3
InChIKeyLPBLSVSXFZGTDZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.46
Rot. Bonds5

About 2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide

2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide (PubChem CID 59110422) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide
PubChem CID59110422
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cc(-c2ccc(C)cc2)c(=O)c2c(C)ccc(C)c21
InChIInChI=1S/C24H28N2O2/c1-6-25(7-2)21(27)15-26-14-20(19-12-8-16(3)9-13-19)24(28)22-17(4)10-11-18(5)23(22)26/h8-14H,6-7,15H2,1-5H3
InChIKeyLPBLSVSXFZGTDZ-UHFFFAOYSA-N
XLogP4.46
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide (CID 59110422) is 2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cc(-c2ccc(C)cc2)c(=O)c2c(C)ccc(C)c21.
What is the InChIKey of 2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide?
The InChIKey is LPBLSVSXFZGTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-6-25(7-2)21(27)15-26-14-20(19-12-8-16(3)9-13-19)24(28)22-17(4)10-11-18(5)23(22)26/h8-14H,6-7,15H2,1-5H3.
What are the key properties of 2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide?
2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide has a molecular weight of 376.50 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,8-dimethyl-3-(4-methylphenyl)-4-oxoquinolin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 59110422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).