6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline

C31H28N2O5 — CID 66616288

IUPAC6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline
SMILESCOc1ccc(-c2ccc(-c3ncnc4ccc(-c5ccc(OC)c(OC)c5)cc34)c(OC)c2)cc1OC
InChIInChI=1S/C31H28N2O5/c1-34-26-12-8-21(16-29(26)37-4)19-7-11-25-24(14-19)31(33-18-32-25)23-10-6-20(15-28(23)36-3)22-9-13-27(35-2)30(17-22)38-5/h6-18H,1-5H3
InChIKeyUBBZVJFCYBZHNY-UHFFFAOYSA-N
MW508.57 g/mol
LogP6.67
Rot. Bonds8

About 6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline

6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline (PubChem CID 66616288) 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-dimethoxyphenyl)-2-methoxyphenyl]quinazoline.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline
PubChem CID66616288
Molecular FormulaC31H28N2O5
Molecular Weight508.57 g/mol
Exact Mass508.20
IUPAC Name6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline
SMILESCOc1ccc(-c2ccc(-c3ncnc4ccc(-c5ccc(OC)c(OC)c5)cc34)c(OC)c2)cc1OC
InChIInChI=1S/C31H28N2O5/c1-34-26-12-8-21(16-29(26)37-4)19-7-11-25-24(14-19)31(33-18-32-25)23-10-6-20(15-28(23)36-3)22-9-13-27(35-2)30(17-22)38-5/h6-18H,1-5H3
InChIKeyUBBZVJFCYBZHNY-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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline (CID 66616288) is 6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline is COc1ccc(-c2ccc(-c3ncnc4ccc(-c5ccc(OC)c(OC)c5)cc34)c(OC)c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline?
The InChIKey is UBBZVJFCYBZHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O5/c1-34-26-12-8-21(16-29(26)37-4)19-7-11-25-24(14-19)31(33-18-32-25)23-10-6-20(15-28(23)36-3)22-9-13-27(35-2)30(17-22)38-5/h6-18H,1-5H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]quinazoline?
6-(3,4-dimethoxyphenyl)-4-[4-(3,4-dimethoxyphenyl)-2-methoxyphenyl]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-dimethoxyphenyl)-2-methoxyphenyl]quinazoline is sourced from PubChem (CID 66616288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).