methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate

C18H14N4O4 — CID 140836188

IUPACmethyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate
SMILESCOC(=O)c1ccc2nc(N)c3ncc(-c4ccc(O)c(O)c4)n3c2c1
InChIInChI=1S/C18H14N4O4/c1-26-18(25)10-2-4-11-12(6-10)22-13(8-20-17(22)16(19)21-11)9-3-5-14(23)15(24)7-9/h2-8,23-24H,1H3,(H2,19,21)
InChIKeyZWHCRCWRMHXQHN-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.33
Rot. Bonds2

About methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate

methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate (PubChem CID 140836188) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate
PubChem CID140836188
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Namemethyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate
SMILESCOC(=O)c1ccc2nc(N)c3ncc(-c4ccc(O)c(O)c4)n3c2c1
InChIInChI=1S/C18H14N4O4/c1-26-18(25)10-2-4-11-12(6-10)22-13(8-20-17(22)16(19)21-11)9-3-5-14(23)15(24)7-9/h2-8,23-24H,1H3,(H2,19,21)
InChIKeyZWHCRCWRMHXQHN-UHFFFAOYSA-N
XLogP2.33
TPSA122.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
CID 137051950
methyl 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxylate
CID 122191871
methyl 2-(3,4-dihydroxyphenyl)-3H-benzimidazole-5-carboxylate
CID 136663209
4-amino-1-bromoimidazo[1,5-a]quinoxaline-8-carboxylic acid
CID 171487754
methyl 1-(3-aminopyrazin-2-yl)indazole-6-carboxylate
CID 135217214
methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
methyl 3-acetylbenzimidazole-5-carboxylate
CID 12795316
methyl 2-amino-3-[(4-methylphenyl)methoxy]quinoline-6-carboxylate
CID 159529266
methyl 3-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-7-carboxylate
CID 162737630
methyl 4-(6-amino-5-bromo-3-pyridinyl)benzoate
CID 170556001
methyl 4-amino-3-methoxybenzoate
CID 602411
methyl 2-aminoquinoline-7-carboxylate
CID 118266696

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate?
The IUPAC name of methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate (CID 140836188) is methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate?
The canonical SMILES for methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate is COC(=O)c1ccc2nc(N)c3ncc(-c4ccc(O)c(O)c4)n3c2c1.
What is the InChIKey of methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate?
The InChIKey is ZWHCRCWRMHXQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c1-26-18(25)10-2-4-11-12(6-10)22-13(8-20-17(22)16(19)21-11)9-3-5-14(23)15(24)7-9/h2-8,23-24H,1H3,(H2,19,21).
What are the key properties of methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate?
methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate has a molecular weight of 350.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate is sourced from PubChem (CID 140836188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).