6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline

C20H19N3OS — CID 15285183

IUPAC6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1ccc2nc3n[nH]c(C)c3c(SCCc3ccccc3)c2c1
InChIInChI=1S/C20H19N3OS/c1-13-18-19(25-11-10-14-6-4-3-5-7-14)16-12-15(24-2)8-9-17(16)21-20(18)23-22-13/h3-9,12H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyXYMUOAHMRPKEGM-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.76
Rot. Bonds5

About 6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline

6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline (PubChem CID 15285183) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline
PubChem CID15285183
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1ccc2nc3n[nH]c(C)c3c(SCCc3ccccc3)c2c1
InChIInChI=1S/C20H19N3OS/c1-13-18-19(25-11-10-14-6-4-3-5-7-14)16-12-15(24-2)8-9-17(16)21-20(18)23-22-13/h3-9,12H,10-11H2,1-2H3,(H,21,22,23)
InChIKeyXYMUOAHMRPKEGM-UHFFFAOYSA-N
XLogP4.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)sulfanyl]propanoic acid
CID 22417969
2-[1-[(6-methoxy-3-methyl-2H-pyrazolo[3,4-b]quinolin-4-yl)amino]ethoxy]ethanol
CID 155250787
1-methoxy-4-(2-phenylethylsulfanyl)benzene
CID 15739781
3-(2,7-dimethoxyacridin-9-yl)sulfanyl-N-methylpropan-1-amine
CID 53475819
3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;hydrochloride
CID 71699942
3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropan-1-ol;hydrochloride
CID 57386077
3-(6-methoxy-2-methyl-3-propylquinolin-4-yl)sulfanylpropanoic acid
CID 706288
6-chloro-2-methoxy-9-(3-phenylpropyl)acridine
CID 141333744
6-methoxy-2,4-bis(phenylmethoxy)quinazoline
CID 18796746
1-methoxy-4-[2-(4-phenylphenyl)ethylsulfanyl]benzene
CID 132576482
2-[3-(2-methoxyacridin-9-yl)sulfanylpropyl]isoindole-1,3-dione
CID 53475925
6-methoxy-4-N-methyl-2-N-(2-phenylethyl)quinazoline-2,4-diamine
CID 138683086

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline (CID 15285183) is 6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline is COc1ccc2nc3n[nH]c(C)c3c(SCCc3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is XYMUOAHMRPKEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13-18-19(25-11-10-14-6-4-3-5-7-14)16-12-15(24-2)8-9-17(16)21-20(18)23-22-13/h3-9,12H,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of 6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline?
6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 349.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-4-(2-phenylethylsulfanyl)-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 15285183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).