1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C24H24N4O2S — CID 41050936

IUPAC1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc4c(c3)CCCC4)nnc12
InChIInChI=1S/C24H24N4O2S/c1-2-13-27-22(30)19-9-5-6-10-20(19)28-23(27)25-26-24(28)31-15-21(29)18-12-11-16-7-3-4-8-17(16)14-18/h5-6,9-12,14H,2-4,7-8,13,15H2,1H3
InChIKeyQFZVZODWZFFNGU-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.31
Rot. Bonds6

About 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 41050936) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID41050936
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc4c(c3)CCCC4)nnc12
InChIInChI=1S/C24H24N4O2S/c1-2-13-27-22(30)19-9-5-6-10-20(19)28-23(27)25-26-24(28)31-15-21(29)18-12-11-16-7-3-4-8-17(16)14-18/h5-6,9-12,14H,2-4,7-8,13,15H2,1H3
InChIKeyQFZVZODWZFFNGU-UHFFFAOYSA-N
XLogP4.31
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 16511864
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 16512892
1-(2-oxopropylsulfanyl)-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2493344
1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2493537
1-[2-(9H-fluoren-3-yl)-2-oxoethyl]sulfanyl-4-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 41432307
3-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 26487114
N-cyclopropyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493452
1-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2661063
2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2493031
1-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2670727
2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46639196
4-(3-methoxypropyl)-1-phenacylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 41432474

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 41050936) is 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc4c(c3)CCCC4)nnc12.
What is the InChIKey of 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is QFZVZODWZFFNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-2-13-27-22(30)19-9-5-6-10-20(19)28-23(27)25-26-24(28)31-15-21(29)18-12-11-16-7-3-4-8-17(16)14-18/h5-6,9-12,14H,2-4,7-8,13,15H2,1H3.
What are the key properties of 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 432.55 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]sulfanyl-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 41050936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).