6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one

C16H11FN4O — CID 135537136

IUPAC6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(-c2ccccn2)c2[nH]c3ccc(F)cc3c(=O)c12
InChIInChI=1S/C16H11FN4O/c1-9-14-15(22)11-8-10(17)5-6-12(11)19-16(14)21(20-9)13-4-2-3-7-18-13/h2-8H,1H3,(H,19,22)
InChIKeyYAFUKAGJGCLZHE-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.71
Rot. Bonds1

About 6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one

6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one (PubChem CID 135537136) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one
PubChem CID135537136
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(-c2ccccn2)c2[nH]c3ccc(F)cc3c(=O)c12
InChIInChI=1S/C16H11FN4O/c1-9-14-15(22)11-8-10(17)5-6-12(11)19-16(14)21(20-9)13-4-2-3-7-18-13/h2-8H,1H3,(H,19,22)
InChIKeyYAFUKAGJGCLZHE-UHFFFAOYSA-N
XLogP2.71
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one (CID 135537136) is 6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one is Cc1nn(-c2ccccn2)c2[nH]c3ccc(F)cc3c(=O)c12.
What is the InChIKey of 6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one?
The InChIKey is YAFUKAGJGCLZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c1-9-14-15(22)11-8-10(17)5-6-12(11)19-16(14)21(20-9)13-4-2-3-7-18-13/h2-8H,1H3,(H,19,22).
What are the key properties of 6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one?
6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one has a molecular weight of 294.29 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-1-pyridin-2-yl-9H-pyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 135537136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).