6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C26H24N4O3 — CID 53030629

IUPAC6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1cc2c(cc1OC)n(Cc1cc(C)ccc1C)c(=O)n1nc(-c3ccccc3)nc21
InChIInChI=1S/C26H24N4O3/c1-16-10-11-17(2)19(12-16)15-29-21-14-23(33-4)22(32-3)13-20(21)25-27-24(28-30(25)26(29)31)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3
InChIKeyAMVMIUFRHMBKID-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.39
Rot. Bonds5

About 6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one

6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 53030629) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID53030629
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1cc2c(cc1OC)n(Cc1cc(C)ccc1C)c(=O)n1nc(-c3ccccc3)nc21
InChIInChI=1S/C26H24N4O3/c1-16-10-11-17(2)19(12-16)15-29-21-14-23(33-4)22(32-3)13-20(21)25-27-24(28-30(25)26(29)31)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3
InChIKeyAMVMIUFRHMBKID-UHFFFAOYSA-N
XLogP4.39
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 53030629) is 6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one is COc1cc2c(cc1OC)n(Cc1cc(C)ccc1C)c(=O)n1nc(-c3ccccc3)nc21.
What is the InChIKey of 6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is AMVMIUFRHMBKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-16-10-11-17(2)19(12-16)15-29-21-14-23(33-4)22(32-3)13-20(21)25-27-24(28-30(25)26(29)31)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3.
What are the key properties of 6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 440.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylphenyl)methyl]-8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 53030629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).