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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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).