6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline

C31H28N2O5 — CID 66616311

IUPAC6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline
SMILESCOc1ccc(-c2ccc3ncnc(-c4ccc(-c5cc(OC)c(OC)c(OC)c5)cc4)c3c2)cc1OC
InChIInChI=1S/C31H28N2O5/c1-34-26-13-11-22(15-27(26)35-2)21-10-12-25-24(14-21)30(33-18-32-25)20-8-6-19(7-9-20)23-16-28(36-3)31(38-5)29(17-23)37-4/h6-18H,1-5H3
InChIKeyVTOFSKKOZSGHGH-UHFFFAOYSA-N
MW508.57 g/mol
LogP6.67
Rot. Bonds8

About 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline

6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline (PubChem CID 66616311) has the molecular formula C31H28N2O5 and a molecular weight of 508.57 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline
PubChem CID66616311
Molecular FormulaC31H28N2O5
Molecular Weight508.57 g/mol
Exact Mass508.20
IUPAC Name6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline
SMILESCOc1ccc(-c2ccc3ncnc(-c4ccc(-c5cc(OC)c(OC)c(OC)c5)cc4)c3c2)cc1OC
InChIInChI=1S/C31H28N2O5/c1-34-26-13-11-22(15-27(26)35-2)21-10-12-25-24(14-21)30(33-18-32-25)20-8-6-19(7-9-20)23-16-28(36-3)31(38-5)29(17-23)37-4/h6-18H,1-5H3
InChIKeyVTOFSKKOZSGHGH-UHFFFAOYSA-N
XLogP6.67
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline 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 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline (CID 66616311) is 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline is COc1ccc(-c2ccc3ncnc(-c4ccc(-c5cc(OC)c(OC)c(OC)c5)cc4)c3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline?
The InChIKey is VTOFSKKOZSGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O5/c1-34-26-13-11-22(15-27(26)35-2)21-10-12-25-24(14-21)30(33-18-32-25)20-8-6-19(7-9-20)23-16-28(36-3)31(38-5)29(17-23)37-4/h6-18H,1-5H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline?
6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline has a molecular weight of 508.57 g/mol, XLogP of 6.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-[4-(3,4,5-trimethoxyphenyl)phenyl]quinazoline is sourced from PubChem (CID 66616311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).