3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline

C20H18N4O3 — CID 6224040

IUPAC3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCOc1cc(/C=C/c2nnc3c4ccccc4ncn23)cc(OC)c1OC
InChIInChI=1S/C20H18N4O3/c1-25-16-10-13(11-17(26-2)19(16)27-3)8-9-18-22-23-20-14-6-4-5-7-15(14)21-12-24(18)20/h4-12H,1-3H3/b9-8+
InChIKeyAUJIZOSZNXPDIY-CMDGGOBGSA-N
MW362.39 g/mol
LogP3.47
Rot. Bonds5

About 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline

3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline (PubChem CID 6224040) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline.

Molecular Properties

Compound Name3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline
PubChem CID6224040
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline
SMILESCOc1cc(/C=C/c2nnc3c4ccccc4ncn23)cc(OC)c1OC
InChIInChI=1S/C20H18N4O3/c1-25-16-10-13(11-17(26-2)19(16)27-3)8-9-18-22-23-20-14-6-4-5-7-15(14)21-12-24(18)20/h4-12H,1-3H3/b9-8+
InChIKeyAUJIZOSZNXPDIY-CMDGGOBGSA-N
XLogP3.47
TPSA70.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]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 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline?
The IUPAC name of 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline (CID 6224040) is 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline.
What is the SMILES notation for 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline?
The canonical SMILES for 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline is COc1cc(/C=C/c2nnc3c4ccccc4ncn23)cc(OC)c1OC.
What is the InChIKey of 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline?
The InChIKey is AUJIZOSZNXPDIY-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-25-16-10-13(11-17(26-2)19(16)27-3)8-9-18-22-23-20-14-6-4-5-7-15(14)21-12-24(18)20/h4-12H,1-3H3/b9-8+.
What are the key properties of 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline?
3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline has a molecular weight of 362.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-[1,2,4]triazolo[4,3-c]quinazoline is sourced from PubChem (CID 6224040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).