4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline

C28H29ClN4O3 — CID 11123999

IUPAC4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline
SMILESCOc1cc2c(N3CCN(Cc4ccccc4)CC3)nc(-c3ccc(Cl)cc3)nc2c(OC)c1OC
InChIInChI=1S/C28H29ClN4O3/c1-34-23-17-22-24(26(36-3)25(23)35-2)30-27(20-9-11-21(29)12-10-20)31-28(22)33-15-13-32(14-16-33)18-19-7-5-4-6-8-19/h4-12,17H,13-16,18H2,1-3H3
InChIKeyOCIIOYARYBCDRO-UHFFFAOYSA-N
MW505.02 g/mol
LogP5.30
Rot. Bonds7

About 4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline

4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline (PubChem CID 11123999) has the molecular formula C28H29ClN4O3 and a molecular weight of 505.02 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline
PubChem CID11123999
Molecular FormulaC28H29ClN4O3
Molecular Weight505.02 g/mol
Exact Mass504.19
IUPAC Name4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline
SMILESCOc1cc2c(N3CCN(Cc4ccccc4)CC3)nc(-c3ccc(Cl)cc3)nc2c(OC)c1OC
InChIInChI=1S/C28H29ClN4O3/c1-34-23-17-22-24(26(36-3)25(23)35-2)30-27(20-9-11-21(29)12-10-20)31-28(22)33-15-13-32(14-16-33)18-19-7-5-4-6-8-19/h4-12,17H,13-16,18H2,1-3H3
InChIKeyOCIIOYARYBCDRO-UHFFFAOYSA-N
XLogP5.30
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.02
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline 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-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline (CID 11123999) is 4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline is COc1cc2c(N3CCN(Cc4ccccc4)CC3)nc(-c3ccc(Cl)cc3)nc2c(OC)c1OC.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline?
The InChIKey is OCIIOYARYBCDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3/c1-34-23-17-22-24(26(36-3)25(23)35-2)30-27(20-9-11-21(29)12-10-20)31-28(22)33-15-13-32(14-16-33)18-19-7-5-4-6-8-19/h4-12,17H,13-16,18H2,1-3H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline?
4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline has a molecular weight of 505.02 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-6,7,8-trimethoxyquinazoline is sourced from PubChem (CID 11123999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).