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

C16H11FN4 — CID 10084926

IUPAC2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2cn(-c3cccc(F)c3)nc12
InChIInChI=1S/C16H11FN4/c17-10-4-3-5-11(8-10)21-9-13-12-6-1-2-7-14(12)19-16(18)15(13)20-21/h1-9H,(H2,18,19)
InChIKeySKBLLPVNHBODIG-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.30
Rot. Bonds1

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

2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 10084926) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine
PubChem CID10084926
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESNc1nc2ccccc2c2cn(-c3cccc(F)c3)nc12
InChIInChI=1S/C16H11FN4/c17-10-4-3-5-11(8-10)21-9-13-12-6-1-2-7-14(12)19-16(18)15(13)20-21/h1-9H,(H2,18,19)
InChIKeySKBLLPVNHBODIG-UHFFFAOYSA-N
XLogP3.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine (CID 10084926) is 2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine is Nc1nc2ccccc2c2cn(-c3cccc(F)c3)nc12.
What is the InChIKey of 2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is SKBLLPVNHBODIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c17-10-4-3-5-11(8-10)21-9-13-12-6-1-2-7-14(12)19-16(18)15(13)20-21/h1-9H,(H2,18,19).
What are the key properties of 2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine?
2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 278.29 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 10084926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).