[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

C19H20N2O6 — CID 18277661

IUPAC[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESCC(NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccco1
InChIInChI=1S/C19H20N2O6/c1-12(16-3-2-8-25-16)20-18(23)10-27-19(24)11-26-14-5-6-15-13(9-14)4-7-17(22)21-15/h2-3,5-6,8-9,12H,4,7,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyUOHCXXSDMTUXER-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.96
Rot. Bonds7

About [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (PubChem CID 18277661) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.

Molecular Properties

Compound Name[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
PubChem CID18277661
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESCC(NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccco1
InChIInChI=1S/C19H20N2O6/c1-12(16-3-2-8-25-16)20-18(23)10-27-19(24)11-26-14-5-6-15-13(9-14)4-7-17(22)21-15/h2-3,5-6,8-9,12H,4,7,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyUOHCXXSDMTUXER-UHFFFAOYSA-N
XLogP1.96
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The IUPAC name of [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (CID 18277661) is [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.
What is the SMILES notation for [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The canonical SMILES for [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is CC(NC(=O)COC(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccco1.
What is the InChIKey of [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The InChIKey is UOHCXXSDMTUXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-12(16-3-2-8-25-16)20-18(23)10-27-19(24)11-26-14-5-6-15-13(9-14)4-7-17(22)21-15/h2-3,5-6,8-9,12H,4,7,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate has a molecular weight of 372.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is sourced from PubChem (CID 18277661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).