[2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate

C19H12ClFINO4 — CID 29343696

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
SMILESO=C(COc1c(I)cc(Cl)c2cccnc12)OCC(=O)c1ccccc1F
InChIInChI=1S/C19H12ClFINO4/c20-13-8-15(22)19(18-11(13)5-3-7-23-18)27-10-17(25)26-9-16(24)12-4-1-2-6-14(12)21/h1-8H,9-10H2
InChIKeyGSMMITFKYCTFCB-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.44
Rot. Bonds6

About [2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate

[2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate (PubChem CID 29343696) has the molecular formula C19H12ClFINO4 and a molecular weight of 499.66 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
PubChem CID29343696
Molecular FormulaC19H12ClFINO4
Molecular Weight499.66 g/mol
Exact Mass498.95
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
SMILESO=C(COc1c(I)cc(Cl)c2cccnc12)OCC(=O)c1ccccc1F
InChIInChI=1S/C19H12ClFINO4/c20-13-8-15(22)19(18-11(13)5-3-7-23-18)27-10-17(25)26-9-16(24)12-4-1-2-6-14(12)21/h1-8H,9-10H2
InChIKeyGSMMITFKYCTFCB-UHFFFAOYSA-N
XLogP4.44
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 63416672
[2-(butan-2-ylamino)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
CID 42971775
2-(5-chloro-7-iodoquinolin-8-yl)oxy-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 24623003
1-(5-chloro-7-iodoquinolin-8-yl)oxy-3,3-dimethylbutan-2-one
CID 24578624
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N'-hydroxyethanimidamide
CID 71319984
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(3-fluorophenyl)acetamide
CID 24578666
2-(2,6-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60626540
ethyl 2-(5-chloro-7-iodoquinolin-8-yl)oxy-2-fluoroacetate
CID 79356762
2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-(propan-2-ylcarbamoyl)acetamide
CID 24578687
4-(5-chloro-7-iodoquinolin-8-yl)oxybutanal
CID 71517386
ethyl 2-(2,5-dichloro-7-iodoquinolin-8-yl)oxyacetate
CID 83223938
(2S)-2-(5-chloro-7-iodoquinolin-8-yl)oxy-N-methoxypropanamide
CID 97201598

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate (CID 29343696) is [2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate is O=C(COc1c(I)cc(Cl)c2cccnc12)OCC(=O)c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate?
The InChIKey is GSMMITFKYCTFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFINO4/c20-13-8-15(22)19(18-11(13)5-3-7-23-18)27-10-17(25)26-9-16(24)12-4-1-2-6-14(12)21/h1-8H,9-10H2.
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate?
[2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate has a molecular weight of 499.66 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate is sourced from PubChem (CID 29343696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).