3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one

C16H12FNO3 — CID 54710215

IUPAC3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2)c(O)c2ccccc21
InChIInChI=1S/C16H12FNO3/c1-18-13-5-3-2-4-12(13)14(19)15(16(18)20)21-11-8-6-10(17)7-9-11/h2-9,19H,1H3
InChIKeyRYGPUGWQHYLIBO-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.18
Rot. Bonds2

About 3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one

3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54710215) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one
PubChem CID54710215
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2)c(O)c2ccccc21
InChIInChI=1S/C16H12FNO3/c1-18-13-5-3-2-4-12(13)14(19)15(16(18)20)21-11-8-6-10(17)7-9-11/h2-9,19H,1H3
InChIKeyRYGPUGWQHYLIBO-UHFFFAOYSA-N
XLogP3.18
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
4-[(4-Fluorophenyl)methyl]-2-methyl-1,4-benzoxazin-3-one
CID 3227582
1,2-Dihydro-N-methyl-4-(4-phenoxybutoxy)quinolin-2-one
CID 42631142
4-benzyloxy-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1H-pyridin-2-one
CID 11559625
4-(Benzyloxy)-1-{4-[2-(diethylamino)ethoxy]phenyl}-pyridin-2(1H)-one
CID 11596311
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-p-tolyloxy-ethanone
CID 668303
2-(4-Ethylphenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 806713
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
N-Methyl-2-phenoxy-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}acetamide
CID 4610393
N-(4-ethoxyphenyl)-N-ethyl-2-(1-ethyl-2-oxoquinolin-4-yl)oxyacetamide
CID 6622315
N-(4-methoxybenzyl)-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
CID 16193345

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one (CID 54710215) is 3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(Oc2ccc(F)cc2)c(O)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is RYGPUGWQHYLIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-18-13-5-3-2-4-12(13)14(19)15(16(18)20)21-11-8-6-10(17)7-9-11/h2-9,19H,1H3.
What are the key properties of 3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one?
3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 285.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54710215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).