2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine

C18H16N4 — CID 68871258

IUPAC2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2cn(CCc3ccccc3)nc12
InChIInChI=1S/C18H16N4/c19-18-17-15(14-8-4-5-9-16(14)20-18)12-22(21-17)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,19,20)
InChIKeyXLTNBSHEHHDEMH-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.41
Rot. Bonds3

About 2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine

2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 68871258) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine
PubChem CID68871258
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2cn(CCc3ccccc3)nc12
InChIInChI=1S/C18H16N4/c19-18-17-15(14-8-4-5-9-16(14)20-18)12-22(21-17)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,19,20)
InChIKeyXLTNBSHEHHDEMH-UHFFFAOYSA-N
XLogP3.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine (CID 68871258) is 2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine is Nc1nc2ccccc2c2cn(CCc3ccccc3)nc12.
What is the InChIKey of 2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is XLTNBSHEHHDEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c19-18-17-15(14-8-4-5-9-16(14)20-18)12-22(21-17)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H2,19,20).
What are the key properties of 2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine?
2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 68871258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).