3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one

C21H23ClN4O — CID 45482890

IUPAC3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H23ClN4O/c22-17-5-3-6-18(15-17)25-13-11-24(12-14-25)9-4-10-26-16-23-20-8-2-1-7-19(20)21(26)27/h1-3,5-8,15-16H,4,9-14H2
InChIKeyQRTNQVOGBIPAAV-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.26
Rot. Bonds5

About 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one

3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one (PubChem CID 45482890) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one
PubChem CID45482890
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H23ClN4O/c22-17-5-3-6-18(15-17)25-13-11-24(12-14-25)9-4-10-26-16-23-20-8-2-1-7-19(20)21(26)27/h1-3,5-8,15-16H,4,9-14H2
InChIKeyQRTNQVOGBIPAAV-UHFFFAOYSA-N
XLogP3.26
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-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 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one (CID 45482890) is 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one is O=c1c2ccccc2ncn1CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one?
The InChIKey is QRTNQVOGBIPAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-17-5-3-6-18(15-17)25-13-11-24(12-14-25)9-4-10-26-16-23-20-8-2-1-7-19(20)21(26)27/h1-3,5-8,15-16H,4,9-14H2.
What are the key properties of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one?
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one has a molecular weight of 382.90 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 45482890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).