2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one

C16H12FNO3 — CID 11346667

IUPAC2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one
SMILESCOc1cc(O)c2c(=O)cc(-c3ccccc3F)[nH]c2c1
InChIInChI=1S/C16H12FNO3/c1-21-9-6-13-16(14(19)7-9)15(20)8-12(18-13)10-4-2-3-5-11(10)17/h2-8,19H,1H3,(H,18,20)
InChIKeyFFMGSYFHPVOCRL-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.05
Rot. Bonds2

About 2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one

2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one (PubChem CID 11346667) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one
PubChem CID11346667
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one
SMILESCOc1cc(O)c2c(=O)cc(-c3ccccc3F)[nH]c2c1
InChIInChI=1S/C16H12FNO3/c1-21-9-6-13-16(14(19)7-9)15(20)8-12(18-13)10-4-2-3-5-11(10)17/h2-8,19H,1H3,(H,18,20)
InChIKeyFFMGSYFHPVOCRL-UHFFFAOYSA-N
XLogP3.05
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one (CID 11346667) is 2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one is COc1cc(O)c2c(=O)cc(-c3ccccc3F)[nH]c2c1.
What is the InChIKey of 2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one?
The InChIKey is FFMGSYFHPVOCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-21-9-6-13-16(14(19)7-9)15(20)8-12(18-13)10-4-2-3-5-11(10)17/h2-8,19H,1H3,(H,18,20).
What are the key properties of 2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one?
2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one has a molecular weight of 285.27 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-hydroxy-7-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 11346667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).