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

C19H20N4O2S — CID 66505895

IUPAC8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCCCSc1nc2ncc3c(n2n1)CC(c1ccc(OC)cc1)CC3=O
InChIInChI=1S/C19H20N4O2S/c1-3-8-26-19-21-18-20-11-15-16(23(18)22-19)9-13(10-17(15)24)12-4-6-14(25-2)7-5-12/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyCORDQIHJGWNBDB-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.55
Rot. Bonds5

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

8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505895) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID66505895
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCCCSc1nc2ncc3c(n2n1)CC(c1ccc(OC)cc1)CC3=O
InChIInChI=1S/C19H20N4O2S/c1-3-8-26-19-21-18-20-11-15-16(23(18)22-19)9-13(10-17(15)24)12-4-6-14(25-2)7-5-12/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyCORDQIHJGWNBDB-UHFFFAOYSA-N
XLogP3.55
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505878
2-[(4-chlorophenyl)methylsulfanyl]-8-(4-methylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505925
8-(4-methylphenyl)-2-propyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506081
2-(2-methoxyethylsulfanyl)-8-methyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505553
2-cyclohexyl-8-(4-propan-2-ylphenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505815
2-benzylsulfanyl-8-(3-chlorophenyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66507806
2-(methoxymethyl)-8-(4-methoxyphenyl)-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
CID 17190733
methyl 8-(4-methoxyphenyl)-6-oxo-8,9-dihydro-7H-pyrazolo[1,5-a]quinazoline-3-carboxylate
CID 66506033
2-cyclohexyl-8-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66506060
8-(4-methylphenyl)-2-phenyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505822
(6S)-1,6-bis(4-methoxyphenyl)-6,7-dihydro-5H-indazol-4-one
CID 26433714

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505895) is 8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is CCCSc1nc2ncc3c(n2n1)CC(c1ccc(OC)cc1)CC3=O.
What is the InChIKey of 8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is CORDQIHJGWNBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-8-26-19-21-18-20-11-15-16(23(18)22-19)9-13(10-17(15)24)12-4-6-14(25-2)7-5-12/h4-7,11,13H,3,8-10H2,1-2H3.
What are the key properties of 8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 368.46 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxyphenyl)-2-propylsulfanyl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).