2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one

C16H11N3O — CID 4962866

IUPAC2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20)
InChIKeyISMLHIIGSRUCOQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.87
Rot. Bonds1

About 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one

2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one (PubChem CID 4962866) has the molecular formula C16H11N3O and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one
PubChem CID4962866
Molecular FormulaC16H11N3O
Molecular Weight261.28 g/mol
Exact Mass261.09
IUPAC Name2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2cn(-c3ccccc3)nc12
InChIInChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20)
InChIKeyISMLHIIGSRUCOQ-UHFFFAOYSA-N
XLogP2.87
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one?
The IUPAC name of 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one (CID 4962866) is 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one?
The canonical SMILES for 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one is O=c1[nH]c2ccccc2c2cn(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one?
The InChIKey is ISMLHIIGSRUCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O/c20-16-15-13(12-8-4-5-9-14(12)17-16)10-19(18-15)11-6-2-1-3-7-11/h1-10H,(H,17,20).
What are the key properties of 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one?
2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one has a molecular weight of 261.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5H-pyrazolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 4962866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).