2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one

C24H27N3O3 — CID 22580403

IUPAC2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one
SMILESCOc1ccccc1C(=O)N1CCN(Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)CC1
InChIInChI=1S/C24H27N3O3/c1-16-12-17(2)23-20(13-16)25-18(14-21(23)28)15-26-8-10-27(11-9-26)24(29)19-6-4-5-7-22(19)30-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,25,28)
InChIKeyZGYLUOOSYFNTGJ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.11
Rot. Bonds4

About 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one

2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one (PubChem CID 22580403) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one
PubChem CID22580403
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one
SMILESCOc1ccccc1C(=O)N1CCN(Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)CC1
InChIInChI=1S/C24H27N3O3/c1-16-12-17(2)23-20(13-16)25-18(14-21(23)28)15-26-8-10-27(11-9-26)24(29)19-6-4-5-7-22(19)30-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,25,28)
InChIKeyZGYLUOOSYFNTGJ-UHFFFAOYSA-N
XLogP3.11
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-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 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one?
The IUPAC name of 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one (CID 22580403) is 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one is COc1ccccc1C(=O)N1CCN(Cc2cc(=O)c3c(C)cc(C)cc3[nH]2)CC1.
What is the InChIKey of 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one?
The InChIKey is ZGYLUOOSYFNTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-12-17(2)23-20(13-16)25-18(14-21(23)28)15-26-8-10-27(11-9-26)24(29)19-6-4-5-7-22(19)30-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,25,28).
What are the key properties of 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one?
2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one has a molecular weight of 405.50 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxybenzoyl)piperazin-1-yl]methyl]-5,7-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 22580403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).