[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate

C19H16N4O5 — CID 2552575

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cnc2ccccc2n1)NC(=O)NCc1ccco1
InChIInChI=1S/C19H16N4O5/c24-17(23-19(26)21-11-14-4-3-9-27-14)12-28-18(25)8-7-13-10-20-15-5-1-2-6-16(15)22-13/h1-10H,11-12H2,(H2,21,23,24,26)/b8-7+
InChIKeyABUREYNLDBMEGH-BQYQJAHWSA-N
MW380.36 g/mol
LogP1.81
Rot. Bonds6

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate (PubChem CID 2552575) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
PubChem CID2552575
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1cnc2ccccc2n1)NC(=O)NCc1ccco1
InChIInChI=1S/C19H16N4O5/c24-17(23-19(26)21-11-14-4-3-9-27-14)12-28-18(25)8-7-13-10-20-15-5-1-2-6-16(15)22-13/h1-10H,11-12H2,(H2,21,23,24,26)/b8-7+
InChIKeyABUREYNLDBMEGH-BQYQJAHWSA-N
XLogP1.81
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7971766
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 7880756
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 2556117
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 5146395
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2380128
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 7882158
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate
CID 2508704
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413781
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193785
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 16532309

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate (CID 2552575) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate is O=C(COC(=O)/C=C/c1cnc2ccccc2n1)NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate?
The InChIKey is ABUREYNLDBMEGH-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H16N4O5/c24-17(23-19(26)21-11-14-4-3-9-27-14)12-28-18(25)8-7-13-10-20-15-5-1-2-6-16(15)22-13/h1-10H,11-12H2,(H2,21,23,24,26)/b8-7+.
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate has a molecular weight of 380.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate is sourced from PubChem (CID 2552575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).