1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine

C16H20N4S — CID 90678436

IUPAC1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine
SMILESCSCCCNc1c2ccccc2nc2c1c(C)nn2C
InChIInChI=1S/C16H20N4S/c1-11-14-15(17-9-6-10-21-3)12-7-4-5-8-13(12)18-16(14)20(2)19-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,17,18)
InChIKeyBYIKULQBOBODSC-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.59
Rot. Bonds5

About 1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine

1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine (PubChem CID 90678436) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine
PubChem CID90678436
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine
SMILESCSCCCNc1c2ccccc2nc2c1c(C)nn2C
InChIInChI=1S/C16H20N4S/c1-11-14-15(17-9-6-10-21-3)12-7-4-5-8-13(12)18-16(14)20(2)19-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,17,18)
InChIKeyBYIKULQBOBODSC-UHFFFAOYSA-N
XLogP3.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride
CID 90678432
1-[3-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]propyl]pyrrolidin-2-one;hydrochloride
CID 90678470
1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine
CID 24766988
N-(1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678504
1,3-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[3,4-b]quinolin-4-amine
CID 70088815
N',N'-dimethyl-N-(1,3,7-trimethylpyrazolo[3,4-b]quinolin-4-yl)propane-1,3-diamine;hydrochloride
CID 54606894
N',N'-diethyl-N-(3-methyl-1-propylpyrazolo[3,4-b]quinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 45052613
N-(4-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-b]quinolin-4-amine
CID 3566059
N-benzyl-1-ethyl-3-methylpyrazolo[3,4-b]quinolin-4-amine;hydrochloride
CID 70087461
N-(1,3-dimethylpyrazolo[5,4-b][1,8]naphthyridin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678243
N-[1,3-dimethyl-7-(trifluoromethyl)pyrazolo[3,4-b]quinolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 90678665
ethyl 2-[4-[(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]acetate;hydrochloride
CID 45052581

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine (CID 90678436) is 1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine is CSCCCNc1c2ccccc2nc2c1c(C)nn2C.
What is the InChIKey of 1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is BYIKULQBOBODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-11-14-15(17-9-6-10-21-3)12-7-4-5-8-13(12)18-16(14)20(2)19-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,17,18).
What are the key properties of 1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine?
1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 300.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-methylsulfanylpropyl)pyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 90678436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).