3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one

C19H13N7OS — CID 17417028

IUPAC3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(Sc2ccc3nnnn3n2)nc2ccccc2c1=O
InChIInChI=1S/C19H13N7OS/c1-12-6-2-5-9-15(12)25-18(27)13-7-3-4-8-14(13)20-19(25)28-17-11-10-16-21-23-24-26(16)22-17/h2-11H,1H3
InChIKeyAANYLGNFFWMCHR-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.68
Rot. Bonds3

About 3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one

3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one (PubChem CID 17417028) has the molecular formula C19H13N7OS and a molecular weight of 387.43 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one
PubChem CID17417028
Molecular FormulaC19H13N7OS
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(Sc2ccc3nnnn3n2)nc2ccccc2c1=O
InChIInChI=1S/C19H13N7OS/c1-12-6-2-5-9-15(12)25-18(27)13-7-3-4-8-14(13)20-19(25)28-17-11-10-16-21-23-24-26(16)22-17/h2-11H,1H3
InChIKeyAANYLGNFFWMCHR-UHFFFAOYSA-N
XLogP2.68
TPSA90.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-(2-methylphenyl)-2-(2-methylsulfanylethylsulfanyl)quinazolin-4-one
CID 8873721
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 5028946
3-(2-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)quinazolin-4-one
CID 51142904
3-(2-methylphenyl)-2-[(3-nitro-2-pyridinyl)sulfanyl]quinazolin-4-one
CID 4877135
2-[(2,6-dichlorophenyl)methylsulfanyl]-3-(2-methylphenyl)quinazolin-4-one
CID 3492101
N-carbamoyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 4316904
2-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 133427798
diethyl-[2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]azanium chloride
CID 44656000
N'-acetyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetohydrazide
CID 8873626
3-(2-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 2588505
3-(2-methylphenyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 23826057
2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide
CID 24570009

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one (CID 17417028) is 3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one is Cc1ccccc1-n1c(Sc2ccc3nnnn3n2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one?
The InChIKey is AANYLGNFFWMCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7OS/c1-12-6-2-5-9-15(12)25-18(27)13-7-3-4-8-14(13)20-19(25)28-17-11-10-16-21-23-24-26(16)22-17/h2-11H,1H3.
What are the key properties of 3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one?
3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one has a molecular weight of 387.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 17417028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).