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

C18H18N4O — CID 66506072

IUPAC8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC(C)c1ccc(C2CC(=O)c3cnc4ncnn4c3C2)cc1
InChIInChI=1S/C18H18N4O/c1-11(2)12-3-5-13(6-4-12)14-7-16-15(17(23)8-14)9-19-18-20-10-21-22(16)18/h3-6,9-11,14H,7-8H2,1-2H3
InChIKeyUVPIUAAVAOHUJA-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.16
Rot. Bonds2

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

8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66506072) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID66506072
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC(C)c1ccc(C2CC(=O)c3cnc4ncnn4c3C2)cc1
InChIInChI=1S/C18H18N4O/c1-11(2)12-3-5-13(6-4-12)14-7-16-15(17(23)8-14)9-19-18-20-10-21-22(16)18/h3-6,9-11,14H,7-8H2,1-2H3
InChIKeyUVPIUAAVAOHUJA-UHFFFAOYSA-N
XLogP3.16
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one with MolForge

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Related Compounds

8-(4-chlorophenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506064
2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505815
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 4888861
8-(4-chlorophenyl)-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 66505994
2-ethylsulfanyl-8-(4-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505891
8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505895
8-(4-methylphenyl)-2-propyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506081
8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505822
2-(3,5-dimethylpiperidin-1-yl)-7-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 3987266
2-[(4-chlorophenyl)methylsulfanyl]-8-(4-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505925
2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506060
(9S)-3-amino-9-(4-propan-2-ylphenyl)-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135895000

Frequently Asked Questions

What is the IUPAC name of 8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66506072) is 8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is CC(C)c1ccc(C2CC(=O)c3cnc4ncnn4c3C2)cc1.
What is the InChIKey of 8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is UVPIUAAVAOHUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11(2)12-3-5-13(6-4-12)14-7-16-15(17(23)8-14)9-19-18-20-10-21-22(16)18/h3-6,9-11,14H,7-8H2,1-2H3.
What are the key properties of 8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 306.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66506072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).