8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

C20H16N4OS — CID 66507732

IUPAC8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCc1cccc(C2CC(=O)c3cnc4nc(-c5cccs5)nn4c3C2)c1
InChIInChI=1S/C20H16N4OS/c1-12-4-2-5-13(8-12)14-9-16-15(17(25)10-14)11-21-20-22-19(23-24(16)20)18-6-3-7-26-18/h2-8,11,14H,9-10H2,1H3
InChIKeyNYFFWHMMZIEHAU-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.07
Rot. Bonds2

About 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66507732) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID66507732
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCc1cccc(C2CC(=O)c3cnc4nc(-c5cccs5)nn4c3C2)c1
InChIInChI=1S/C20H16N4OS/c1-12-4-2-5-13(8-12)14-9-16-15(17(25)10-14)11-21-20-22-19(23-24(16)20)18-6-3-7-26-18/h2-8,11,14H,9-10H2,1H3
InChIKeyNYFFWHMMZIEHAU-UHFFFAOYSA-N
XLogP4.07
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one with MolForge

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Related Compounds

8-phenyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505888
8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505878
8-(4-fluorophenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505880
8-methyl-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505652
2-cyclohexyl-8-(3-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66508115
2-ethylsulfanyl-8-(4-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505891
8-(4-methylphenyl)-2-propyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506081
2-benzylsulfanyl-8-(3-chlorophenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66507806
8-(4-fluorophenyl)-2-pyridin-3-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505847
2-[(4-chlorophenyl)methylsulfanyl]-8-(4-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505925
1-(4-methoxyphenyl)-6-(3-methylphenyl)-6,7-dihydro-5H-indazol-4-one
CID 17079297
2-(furan-2-yl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505651

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66507732) is 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is Cc1cccc(C2CC(=O)c3cnc4nc(-c5cccs5)nn4c3C2)c1.
What is the InChIKey of 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is NYFFWHMMZIEHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-12-4-2-5-13(8-12)14-9-16-15(17(25)10-14)11-21-20-22-19(23-24(16)20)18-6-3-7-26-18/h2-8,11,14H,9-10H2,1H3.
What are the key properties of 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 360.44 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66507732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).