7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one

C16H14FNO3 — CID 118904580

IUPAC7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCc3ccccc3)cc(F)c(O)c2N1
InChIInChI=1S/C16H14FNO3/c17-12-8-13(21-9-10-4-2-1-3-5-10)11-6-7-14(19)18-15(11)16(12)20/h1-5,8,20H,6-7,9H2,(H,18,19)
InChIKeyGBTIKALDOWGMOM-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.99
Rot. Bonds3

About 7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one

7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 118904580) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID118904580
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(OCc3ccccc3)cc(F)c(O)c2N1
InChIInChI=1S/C16H14FNO3/c17-12-8-13(21-9-10-4-2-1-3-5-10)11-6-7-14(19)18-15(11)16(12)20/h1-5,8,20H,6-7,9H2,(H,18,19)
InChIKeyGBTIKALDOWGMOM-UHFFFAOYSA-N
XLogP2.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one (CID 118904580) is 7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(OCc3ccccc3)cc(F)c(O)c2N1.
What is the InChIKey of 7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GBTIKALDOWGMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-12-8-13(21-9-10-4-2-1-3-5-10)11-6-7-14(19)18-15(11)16(12)20/h1-5,8,20H,6-7,9H2,(H,18,19).
What are the key properties of 7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-hydroxy-5-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 118904580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).