4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline

C25H24N2O5 — CID 25054401

IUPAC4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline
SMILESCOc1ccc(-c2ncnc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc23)cc1OC
InChIInChI=1S/C25H24N2O5/c1-28-20-9-7-16(11-21(20)29-2)24-18-10-15(6-8-19(18)26-14-27-24)17-12-22(30-3)25(32-5)23(13-17)31-4/h6-14H,1-5H3
InChIKeyLTOVVGHEPVCXPL-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.01
Rot. Bonds7

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

4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline (PubChem CID 25054401) has the molecular formula C25H24N2O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline
PubChem CID25054401
Molecular FormulaC25H24N2O5
Molecular Weight432.48 g/mol
Exact Mass432.17
IUPAC Name4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline
SMILESCOc1ccc(-c2ncnc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc23)cc1OC
InChIInChI=1S/C25H24N2O5/c1-28-20-9-7-16(11-21(20)29-2)24-18-10-15(6-8-19(18)26-14-27-24)17-12-22(30-3)25(32-5)23(13-17)31-4/h6-14H,1-5H3
InChIKeyLTOVVGHEPVCXPL-UHFFFAOYSA-N
XLogP5.01
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline (CID 25054401) is 4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline is COc1ccc(-c2ncnc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline?
The InChIKey is LTOVVGHEPVCXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5/c1-28-20-9-7-16(11-21(20)29-2)24-18-10-15(6-8-19(18)26-14-27-24)17-12-22(30-3)25(32-5)23(13-17)31-4/h6-14H,1-5H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline?
4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline has a molecular weight of 432.48 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)quinazoline is sourced from PubChem (CID 25054401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).