7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

C11H8FN3O — CID 162504669

IUPAC7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCn1ncc2c(=O)[nH]c3cc(F)ccc3c21
InChIInChI=1S/C11H8FN3O/c1-15-10-7-3-2-6(12)4-9(7)14-11(16)8(10)5-13-15/h2-5H,1H3,(H,14,16)
InChIKeyPTXUYQCRDSFDKQ-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.55
Rot. Bonds

About 7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one

7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 162504669) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID162504669
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESCn1ncc2c(=O)[nH]c3cc(F)ccc3c21
InChIInChI=1S/C11H8FN3O/c1-15-10-7-3-2-6(12)4-9(7)14-11(16)8(10)5-13-15/h2-5H,1H3,(H,14,16)
InChIKeyPTXUYQCRDSFDKQ-UHFFFAOYSA-N
XLogP1.55
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one (CID 162504669) is 7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is Cn1ncc2c(=O)[nH]c3cc(F)ccc3c21.
What is the InChIKey of 7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is PTXUYQCRDSFDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c1-15-10-7-3-2-6(12)4-9(7)14-11(16)8(10)5-13-15/h2-5H,1H3,(H,14,16).
What are the key properties of 7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one?
7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 217.20 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-methyl-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 162504669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).