[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate

C16H13N3O4 — CID 23971743

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate
SMILESO=C(COC(=O)c1cccc2nccnc12)NCc1ccco1
InChIInChI=1S/C16H13N3O4/c20-14(19-9-11-3-2-8-22-11)10-23-16(21)12-4-1-5-13-15(12)18-7-6-17-13/h1-8H,9-10H2,(H,19,20)
InChIKeyULPRWYVINCJISF-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.70
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate (PubChem CID 23971743) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate
PubChem CID23971743
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate
SMILESO=C(COC(=O)c1cccc2nccnc12)NCc1ccco1
InChIInChI=1S/C16H13N3O4/c20-14(19-9-11-3-2-8-22-11)10-23-16(21)12-4-1-5-13-15(12)18-7-6-17-13/h1-8H,9-10H2,(H,19,20)
InChIKeyULPRWYVINCJISF-UHFFFAOYSA-N
XLogP1.70
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2084919
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenylbenzoate
CID 7229191
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2364822
[2-(furan-2-ylmethylamino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 7969840
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 7773688
N-(furan-2-ylmethyl)-2-quinoxalin-6-yloxyacetamide
CID 51362583
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228665
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2098575
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 8837303

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate (CID 23971743) is [2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate is O=C(COC(=O)c1cccc2nccnc12)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate?
The InChIKey is ULPRWYVINCJISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c20-14(19-9-11-3-2-8-22-11)10-23-16(21)12-4-1-5-13-15(12)18-7-6-17-13/h1-8H,9-10H2,(H,19,20).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate has a molecular weight of 311.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] quinoxaline-5-carboxylate is sourced from PubChem (CID 23971743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).