3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline

C12H11N3S — CID 171365739

IUPAC3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline
SMILESCSc1c2ccccc2nc2n[nH]c(C)c12
InChIInChI=1S/C12H11N3S/c1-7-10-11(16-2)8-5-3-4-6-9(8)13-12(10)15-14-7/h3-6H,1-2H3,(H,13,14,15)
InChIKeyJUSJEORZLGMDFA-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.14
Rot. Bonds1

About 3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline

3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline (PubChem CID 171365739) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline
PubChem CID171365739
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline
SMILESCSc1c2ccccc2nc2n[nH]c(C)c12
InChIInChI=1S/C12H11N3S/c1-7-10-11(16-2)8-5-3-4-6-9(8)13-12(10)15-14-7/h3-6H,1-2H3,(H,13,14,15)
InChIKeyJUSJEORZLGMDFA-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
3-butylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole
CID 5752181
5-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 607943
5-Propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
CID 893376
2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)acetamide
CID 3243974
6,7-Dimethyl-1H-pyrazolo[3,4-b]quinolin-3-ylamine
CID 1133285
3-((2-methylallyl)thio)-5H-[1,2,4]triazino[5,6-b]indole
CID 5731061
3-(isobutylthio)-5H-[1,2,4]triazino[5,6-b]indole
CID 6401209
N4-(5-methyl-1H-pyrazol-3-yl)-N2-phenylquinazoline-2,4-diamine
CID 10267834
N-(5-methyl-1H-pyrazol-3-yl)-2-(phenylthio)quinazolin-4-amine
CID 10268530
4-N-(4-methylphenyl)-1H-pyrazolo[4,5-c]quinoline-3,4-diamine
CID 11140796

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline (CID 171365739) is 3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline is CSc1c2ccccc2nc2n[nH]c(C)c12.
What is the InChIKey of 3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is JUSJEORZLGMDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-7-10-11(16-2)8-5-3-4-6-9(8)13-12(10)15-14-7/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline?
3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 229.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanyl-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 171365739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).