3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one

C17H14FNO3 — CID 176902560

IUPAC3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(-c3cccc(F)c3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C17H14FNO3/c1-21-15-8-11-7-13(10-4-3-5-12(18)6-10)17(20)19-14(11)9-16(15)22-2/h3-9H,1-2H3,(H,19,20)
InChIKeyLUTLJHZDWRXNCA-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.35
Rot. Bonds3

About 3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one

3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one (PubChem CID 176902560) has the molecular formula C17H14FNO3 and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one
PubChem CID176902560
Molecular FormulaC17H14FNO3
Molecular Weight299.30 g/mol
Exact Mass299.10
IUPAC Name3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one
SMILESCOc1cc2cc(-c3cccc(F)c3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C17H14FNO3/c1-21-15-8-11-7-13(10-4-3-5-12(18)6-10)17(20)19-14(11)9-16(15)22-2/h3-9H,1-2H3,(H,19,20)
InChIKeyLUTLJHZDWRXNCA-UHFFFAOYSA-N
XLogP3.35
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
CID 154591387
ethane;6-hydroxy-3-methoxy-7-phenyl-1H-quinolin-2-one
CID 144625825
5,6-dimethoxy-2-phenyl-1H-indole
CID 4066504
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
3-(3-fluorophenyl)-4,5-dimethoxypyridine
CID 174673027
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149747
6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
N-[[2-(3-fluorophenyl)-4,5-dimethoxyphenyl]methyl]ethanamine
CID 61033866
7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one
CID 154974776
3-(3-fluorophenyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 46312799
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one (CID 176902560) is 3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one is COc1cc2cc(-c3cccc(F)c3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one?
The InChIKey is LUTLJHZDWRXNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3/c1-21-15-8-11-7-13(10-4-3-5-12(18)6-10)17(20)19-14(11)9-16(15)22-2/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one?
3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one has a molecular weight of 299.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one is sourced from PubChem (CID 176902560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).