4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one

C24H27N3O3 — CID 3242139

IUPAC4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one
SMILESCc1cccc(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2)c1C
InChIInChI=1S/C24H27N3O3/c1-17-7-6-10-20(18(17)2)26-11-13-27(14-12-26)24(29)16-30-22-15-23(28)25(3)21-9-5-4-8-19(21)22/h4-10,15H,11-14,16H2,1-3H3
InChIKeyFHZZDIALYGZELV-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.88
Rot. Bonds4

About 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one

4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one (PubChem CID 3242139) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one
PubChem CID3242139
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one
SMILESCc1cccc(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2)c1C
InChIInChI=1S/C24H27N3O3/c1-17-7-6-10-20(18(17)2)26-11-13-27(14-12-26)24(29)16-30-22-15-23(28)25(3)21-9-5-4-8-19(21)22/h4-10,15H,11-14,16H2,1-3H3
InChIKeyFHZZDIALYGZELV-UHFFFAOYSA-N
XLogP2.88
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one 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 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one?
The IUPAC name of 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one (CID 3242139) is 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one?
The canonical SMILES for 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one is Cc1cccc(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2)c1C.
What is the InChIKey of 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one?
The InChIKey is FHZZDIALYGZELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-7-6-10-20(18(17)2)26-11-13-27(14-12-26)24(29)16-30-22-15-23(28)25(3)21-9-5-4-8-19(21)22/h4-10,15H,11-14,16H2,1-3H3.
What are the key properties of 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one?
4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one has a molecular weight of 405.50 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy]-1-methylquinolin-2-one is sourced from PubChem (CID 3242139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).