[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

C20H18FNO5 — CID 8667589

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1F
InChIInChI=1S/C20H18FNO5/c1-26-18-6-2-12(8-15(18)21)9-20(25)27-11-17(23)14-3-5-16-13(10-14)4-7-19(24)22-16/h2-3,5-6,8,10H,4,7,9,11H2,1H3,(H,22,24)
InChIKeyAZRYSGRTARJXCJ-UHFFFAOYSA-N
MW371.36 g/mol
LogP2.69
Rot. Bonds6

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 8667589) has the molecular formula C20H18FNO5 and a molecular weight of 371.36 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID8667589
Molecular FormulaC20H18FNO5
Molecular Weight371.36 g/mol
Exact Mass371.12
IUPAC Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1F
InChIInChI=1S/C20H18FNO5/c1-26-18-6-2-12(8-15(18)21)9-20(25)27-11-17(23)14-3-5-16-13(10-14)4-7-19(24)22-16/h2-3,5-6,8,10H,4,7,9,11H2,1H3,(H,22,24)
InChIKeyAZRYSGRTARJXCJ-UHFFFAOYSA-N
XLogP2.69
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate with MolForge

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Launch Full Analysis

Related Compounds

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8608526
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18115743
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 55366724
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(2-tert-butylphenoxy)acetate
CID 8701750
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126270
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-phenylacetyl)amino]acetate
CID 55365962
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066215
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 4-(acetamidomethyl)benzoate
CID 46818941
[2-(3,5-dioxo-1,4-diazaspiro[5.5]undecan-1-yl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 9381751
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667364
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (CID 8667589) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)c2ccc3c(c2)CCC(=O)N3)cc1F.
What is the InChIKey of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is AZRYSGRTARJXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO5/c1-26-18-6-2-12(8-15(18)21)9-20(25)27-11-17(23)14-3-5-16-13(10-14)4-7-19(24)22-16/h2-3,5-6,8,10H,4,7,9,11H2,1H3,(H,22,24).
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 371.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 8667589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).