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

C17H14N4 — CID 10754789

IUPAC2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESCc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1
InChIInChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
InChIKeyXVEJYBYRDZTECS-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.46
Rot. Bonds1

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

2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 10754789) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine
PubChem CID10754789
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESCc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1
InChIInChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19)
InChIKeyXVEJYBYRDZTECS-UHFFFAOYSA-N
XLogP3.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine (CID 10754789) is 2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine is Cc1ccc(-n2cc3c(n2)c(N)nc2ccccc23)cc1.
What is the InChIKey of 2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is XVEJYBYRDZTECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-11-6-8-12(9-7-11)21-10-14-13-4-2-3-5-15(13)19-17(18)16(14)20-21/h2-10H,1H3,(H2,18,19).
What are the key properties of 2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine?
2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 274.33 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 10754789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).