4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one

C9H8FNO2 — CID 59719007

IUPAC4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(F)c2ccc(O)cc2N1
InChIInChI=1S/C9H8FNO2/c10-7-4-9(13)11-8-3-5(12)1-2-6(7)8/h1-3,7,12H,4H2,(H,11,13)
InChIKeyLEJPMZJDWVLMHY-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.75
Rot. Bonds

About 4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one

4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 59719007) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID59719007
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(F)c2ccc(O)cc2N1
InChIInChI=1S/C9H8FNO2/c10-7-4-9(13)11-8-3-5(12)1-2-6(7)8/h1-3,7,12H,4H2,(H,11,13)
InChIKeyLEJPMZJDWVLMHY-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one (CID 59719007) is 4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one is O=C1CC(F)c2ccc(O)cc2N1.
What is the InChIKey of 4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is LEJPMZJDWVLMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-7-4-9(13)11-8-3-5(12)1-2-6(7)8/h1-3,7,12H,4H2,(H,11,13).
What are the key properties of 4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one?
4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 181.17 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-hydroxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 59719007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).