5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one

C18H14FNO3 — CID 66545165

IUPAC5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one
SMILESCC(=O)c1ccc(OCc2ccc(F)cc2)c2[nH]c(=O)ccc12
InChIInChI=1S/C18H14FNO3/c1-11(21)14-6-8-16(18-15(14)7-9-17(22)20-18)23-10-12-2-4-13(19)5-3-12/h2-9H,10H2,1H3,(H,20,22)
InChIKeyKVXMJXKHMGIHEQ-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.45
Rot. Bonds4

About 5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one

5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one (PubChem CID 66545165) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one
PubChem CID66545165
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one
SMILESCC(=O)c1ccc(OCc2ccc(F)cc2)c2[nH]c(=O)ccc12
InChIInChI=1S/C18H14FNO3/c1-11(21)14-6-8-16(18-15(14)7-9-17(22)20-18)23-10-12-2-4-13(19)5-3-12/h2-9H,10H2,1H3,(H,20,22)
InChIKeyKVXMJXKHMGIHEQ-UHFFFAOYSA-N
XLogP3.45
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one?
The IUPAC name of 5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one (CID 66545165) is 5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one.
What is the SMILES notation for 5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one?
The canonical SMILES for 5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one is CC(=O)c1ccc(OCc2ccc(F)cc2)c2[nH]c(=O)ccc12.
What is the InChIKey of 5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one?
The InChIKey is KVXMJXKHMGIHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-11(21)14-6-8-16(18-15(14)7-9-17(22)20-18)23-10-12-2-4-13(19)5-3-12/h2-9H,10H2,1H3,(H,20,22).
What are the key properties of 5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one?
5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one has a molecular weight of 311.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-8-[(4-fluorophenyl)methoxy]-1H-quinolin-2-one is sourced from PubChem (CID 66545165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).