9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline

C16H11BrN4O — CID 175889989

IUPAC9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nc3c4cc(Br)ccc4ncn3n2)cc1
InChIInChI=1S/C16H11BrN4O/c1-22-12-5-2-10(3-6-12)15-19-16-13-8-11(17)4-7-14(13)18-9-21(16)20-15/h2-9H,1H3
InChIKeyHHHCTVNFHVXPBP-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.72
Rot. Bonds2

About 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline

9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 175889989) has the molecular formula C16H11BrN4O and a molecular weight of 355.20 g/mol. Its IUPAC name is 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID175889989
Molecular FormulaC16H11BrN4O
Molecular Weight355.20 g/mol
Exact Mass354.01
IUPAC Name9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nc3c4cc(Br)ccc4ncn3n2)cc1
InChIInChI=1S/C16H11BrN4O/c1-22-12-5-2-10(3-6-12)15-19-16-13-8-11(17)4-7-14(13)18-9-21(16)20-15/h2-9H,1H3
InChIKeyHHHCTVNFHVXPBP-UHFFFAOYSA-N
XLogP3.72
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-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 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 175889989) is 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline is COc1ccc(-c2nc3c4cc(Br)ccc4ncn3n2)cc1.
What is the InChIKey of 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is HHHCTVNFHVXPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O/c1-22-12-5-2-10(3-6-12)15-19-16-13-8-11(17)4-7-14(13)18-9-21(16)20-15/h2-9H,1H3.
What are the key properties of 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 355.20 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 175889989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).