5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline

C23H19ClN4O — CID 136544798

IUPAC5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nc3n(n2)C(C)(c2ccc(Cl)cc2)Nc2ccccc2-3)cc1
InChIInChI=1S/C23H19ClN4O/c1-23(16-9-11-17(24)12-10-16)26-20-6-4-3-5-19(20)22-25-21(27-28(22)23)15-7-13-18(29-2)14-8-15/h3-14,26H,1-2H3
InChIKeyFJQUYCAFXXQQMR-UHFFFAOYSA-N
MW402.89 g/mol
LogP5.42
Rot. Bonds3

About 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline

5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 136544798) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID136544798
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nc3n(n2)C(C)(c2ccc(Cl)cc2)Nc2ccccc2-3)cc1
InChIInChI=1S/C23H19ClN4O/c1-23(16-9-11-17(24)12-10-16)26-20-6-4-3-5-19(20)22-25-21(27-28(22)23)15-7-13-18(29-2)14-8-15/h3-14,26H,1-2H3
InChIKeyFJQUYCAFXXQQMR-UHFFFAOYSA-N
XLogP5.42
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[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 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline (CID 136544798) is 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline is COc1ccc(-c2nc3n(n2)C(C)(c2ccc(Cl)cc2)Nc2ccccc2-3)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is FJQUYCAFXXQQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-23(16-9-11-17(24)12-10-16)26-20-6-4-3-5-19(20)22-25-21(27-28(22)23)15-7-13-18(29-2)14-8-15/h3-14,26H,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline?
5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 402.89 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-methyl-6H-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 136544798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).