2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C19H18N4O4 — CID 660538

IUPAC2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
InChIInChI=1S/C19H18N4O4/c1-25-9-10-27-19(24)15-16-18(22-14-7-3-2-6-13(14)21-16)23(17(15)20)11-12-5-4-8-26-12/h2-8H,9-11,20H2,1H3
InChIKeyWWARKSPXYUHONM-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.61
Rot. Bonds6

About 2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 660538) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID660538
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
InChIInChI=1S/C19H18N4O4/c1-25-9-10-27-19(24)15-16-18(22-14-7-3-2-6-13(14)21-16)23(17(15)20)11-12-5-4-8-26-12/h2-8H,9-11,20H2,1H3
InChIKeyWWARKSPXYUHONM-UHFFFAOYSA-N
XLogP2.61
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

9-(3-aminobenzyl)-6-(2-furyl)-9H-purine-2-amine
CID 9836155
6-Furan-2-yl-9-phenethyl-9H-purin-2-ylamine
CID 44401799
9-benzyl-6-(furan-2-yl)-9H-purin-2-amine
CID 44401938
1-(Furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 679754
6-Furan-2-yl-9-phenyl-9H-purin-2-ylamine
CID 44401937
ethyl 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate
CID 987485
(E)-11-((furan-2-ylmethylene)amino)-3-(2-methoxyethyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
CID 9682893
2-Ethyl-1-[(2-furylmethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 556949
2-Amino-1-[2-(4-morpholinyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
CID 1900690
6-(5-Methylfuran-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
CID 2997938
6-(Furan-2-yl)-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 2998157
17-(Furan-2-ylmethyl)-13-[(4-methoxyphenyl)methyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 659878

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of 2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 660538) is 2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is COCCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12.
What is the InChIKey of 2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is WWARKSPXYUHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-25-9-10-27-19(24)15-16-18(22-14-7-3-2-6-13(14)21-16)23(17(15)20)11-12-5-4-8-26-12/h2-8H,9-11,20H2,1H3.
What are the key properties of 2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 366.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 660538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).