8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one

C11H8FN3O — CID 175939537

IUPAC8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCn1cc2c(=O)[nH]c3ccc(F)cc3c2n1
InChIInChI=1S/C11H8FN3O/c1-15-5-8-10(14-15)7-4-6(12)2-3-9(7)13-11(8)16/h2-5H,1H3,(H,13,16)
InChIKeyFMONBJRPADSTOO-UHFFFAOYSA-N
MW217.20 g/mol
LogP1.55
Rot. Bonds

About 8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one

8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 175939537) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID175939537
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCn1cc2c(=O)[nH]c3ccc(F)cc3c2n1
InChIInChI=1S/C11H8FN3O/c1-15-5-8-10(14-15)7-4-6(12)2-3-9(7)13-11(8)16/h2-5H,1H3,(H,13,16)
InChIKeyFMONBJRPADSTOO-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 8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one (CID 175939537) is 8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one is Cn1cc2c(=O)[nH]c3ccc(F)cc3c2n1.
What is the InChIKey of 8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is FMONBJRPADSTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c1-15-5-8-10(14-15)7-4-6(12)2-3-9(7)13-11(8)16/h2-5H,1H3,(H,13,16).
What are the key properties of 8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one?
8-fluoro-2-methyl-5H-pyrazolo[4,3-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 8-fluoro-2-methyl-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 175939537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).