3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one

C21H14N4O — CID 136740236

IUPAC3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2c1c(-c1ccccc1)nn2-c1ccccn1
InChIInChI=1S/C21H14N4O/c26-21-18-19(14-8-2-1-3-9-14)24-25(17-12-6-7-13-22-17)20(18)15-10-4-5-11-16(15)23-21/h1-13H,(H,23,26)
InChIKeyJRMCMXQQNDYIJV-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.93
Rot. Bonds2

About 3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one

3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 136740236) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID136740236
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2c1c(-c1ccccc1)nn2-c1ccccn1
InChIInChI=1S/C21H14N4O/c26-21-18-19(14-8-2-1-3-9-14)24-25(17-12-6-7-13-22-17)20(18)15-10-4-5-11-16(15)23-21/h1-13H,(H,23,26)
InChIKeyJRMCMXQQNDYIJV-UHFFFAOYSA-N
XLogP3.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one (CID 136740236) is 3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one is O=c1[nH]c2ccccc2c2c1c(-c1ccccc1)nn2-c1ccccn1.
What is the InChIKey of 3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is JRMCMXQQNDYIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c26-21-18-19(14-8-2-1-3-9-14)24-25(17-12-6-7-13-22-17)20(18)15-10-4-5-11-16(15)23-21/h1-13H,(H,23,26).
What are the key properties of 3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one?
3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 338.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-pyridin-2-yl-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 136740236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).