3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one

C23H28N4O2 — CID 23653115

IUPAC3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one
SMILESCOc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C23H28N4O2/c1-29-22-11-5-4-10-21(22)26-16-14-25(15-17-26)12-6-7-13-27-18-24-20-9-3-2-8-19(20)23(27)28/h2-5,8-11,18H,6-7,12-17H2,1H3
InChIKeyQDTSODNKOSJEPX-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.01
Rot. Bonds7

About 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one

3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one (PubChem CID 23653115) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one
PubChem CID23653115
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one
SMILESCOc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C23H28N4O2/c1-29-22-11-5-4-10-21(22)26-16-14-25(15-17-26)12-6-7-13-27-18-24-20-9-3-2-8-19(20)23(27)28/h2-5,8-11,18H,6-7,12-17H2,1H3
InChIKeyQDTSODNKOSJEPX-UHFFFAOYSA-N
XLogP3.01
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]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-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one?
The IUPAC name of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one (CID 23653115) is 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one.
What is the SMILES notation for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one?
The canonical SMILES for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one is COc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one?
The InChIKey is QDTSODNKOSJEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-29-22-11-5-4-10-21(22)26-16-14-25(15-17-26)12-6-7-13-27-18-24-20-9-3-2-8-19(20)23(27)28/h2-5,8-11,18H,6-7,12-17H2,1H3.
What are the key properties of 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one?
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one has a molecular weight of 392.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinazolin-4-one is sourced from PubChem (CID 23653115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).