8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

C22H18N4O — CID 66505822

IUPAC8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCc1ccc(C2CC(=O)c3cnc4nc(-c5ccccc5)nn4c3C2)cc1
InChIInChI=1S/C22H18N4O/c1-14-7-9-15(10-8-14)17-11-19-18(20(27)12-17)13-23-22-24-21(25-26(19)22)16-5-3-2-4-6-16/h2-10,13,17H,11-12H2,1H3
InChIKeyWGWCJMKSVDQCTI-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.01
Rot. Bonds2

About 8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505822) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID66505822
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCc1ccc(C2CC(=O)c3cnc4nc(-c5ccccc5)nn4c3C2)cc1
InChIInChI=1S/C22H18N4O/c1-14-7-9-15(10-8-14)17-11-19-18(20(27)12-17)13-23-22-24-21(25-26(19)22)16-5-3-2-4-6-16/h2-10,13,17H,11-12H2,1H3
InChIKeyWGWCJMKSVDQCTI-UHFFFAOYSA-N
XLogP4.01
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505822) is 8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is Cc1ccc(C2CC(=O)c3cnc4nc(-c5ccccc5)nn4c3C2)cc1.
What is the InChIKey of 8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is WGWCJMKSVDQCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14-7-9-15(10-8-14)17-11-19-18(20(27)12-17)13-23-22-24-21(25-26(19)22)16-5-3-2-4-6-16/h2-10,13,17H,11-12H2,1H3.
What are the key properties of 8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 354.41 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).