2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one

C24H26Cl2N4O2 — CID 42714771

IUPAC2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C24H26Cl2N4O2/c1-3-21(22-27-20-8-6-5-7-18(20)24(32)30(22)4-2)28-11-13-29(14-12-28)23(31)17-10-9-16(25)15-19(17)26/h5-10,15,21H,3-4,11-14H2,1-2H3
InChIKeySJPICUOFLLJGMP-UHFFFAOYSA-N
MW473.40 g/mol
LogP4.63
Rot. Bonds5

About 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one

2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one (PubChem CID 42714771) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
PubChem CID42714771
Molecular FormulaC24H26Cl2N4O2
Molecular Weight473.40 g/mol
Exact Mass472.14
IUPAC Name2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C24H26Cl2N4O2/c1-3-21(22-27-20-8-6-5-7-18(20)24(32)30(22)4-2)28-11-13-29(14-12-28)23(31)17-10-9-16(25)15-19(17)26/h5-10,15,21H,3-4,11-14H2,1-2H3
InChIKeySJPICUOFLLJGMP-UHFFFAOYSA-N
XLogP4.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-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

Related Compounds

2-[1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one
CID 42714784
3-ethyl-2-[1-[4-(3-phenylpropanoyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714780
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42657432
2-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
CID 42717155
N-(2,4-dichlorophenyl)-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714708
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
2-[1-[4-(2,2-dichloroacetyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715229
3-(2-methoxyethyl)-2-[1-(4-propanoylpiperazin-1-yl)propyl]quinazolin-4-one
CID 42714988
3-benzyl-2-[1-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714912
3-benzyl-2-[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714908
2-[1-[4-(4-nitrobenzoyl)piperazin-1-yl]propyl]-3-propylquinazolin-4-one
CID 42715232
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one?
The IUPAC name of 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one (CID 42714771) is 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one.
What is the SMILES notation for 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one?
The canonical SMILES for 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one is CCC(c1nc2ccccc2c(=O)n1CC)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one?
The InChIKey is SJPICUOFLLJGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-3-21(22-27-20-8-6-5-7-18(20)24(32)30(22)4-2)28-11-13-29(14-12-28)23(31)17-10-9-16(25)15-19(17)26/h5-10,15,21H,3-4,11-14H2,1-2H3.
What are the key properties of 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one?
2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one has a molecular weight of 473.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propyl]-3-ethylquinazolin-4-one is sourced from PubChem (CID 42714771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).