8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C17H14N4O3 — CID 135485418

IUPAC8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1cc2[nH]c(=O)n3nc(-c4ccccc4)nc3c2cc1OC
InChIInChI=1S/C17H14N4O3/c1-23-13-8-11-12(9-14(13)24-2)18-17(22)21-16(11)19-15(20-21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,22)
InChIKeyDOCBXBUYXFDSFQ-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.26
Rot. Bonds3

About 8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 135485418) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID135485418
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1cc2[nH]c(=O)n3nc(-c4ccccc4)nc3c2cc1OC
InChIInChI=1S/C17H14N4O3/c1-23-13-8-11-12(9-14(13)24-2)18-17(22)21-16(11)19-15(20-21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,22)
InChIKeyDOCBXBUYXFDSFQ-UHFFFAOYSA-N
XLogP2.26
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 135485418) is 8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is COc1cc2[nH]c(=O)n3nc(-c4ccccc4)nc3c2cc1OC.
What is the InChIKey of 8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is DOCBXBUYXFDSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-23-13-8-11-12(9-14(13)24-2)18-17(22)21-16(11)19-15(20-21)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,22).
What are the key properties of 8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 322.32 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-2-phenyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 135485418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).