4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol

C17H14N4O2 — CID 137051928

IUPAC4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
SMILESCNc1nc2ccccc2n2c(-c3ccc(O)c(O)c3)cnc12
InChIInChI=1S/C17H14N4O2/c1-18-16-17-19-9-13(10-6-7-14(22)15(23)8-10)21(17)12-5-3-2-4-11(12)20-16/h2-9,22-23H,1H3,(H,18,20)
InChIKeyKOBYYHFBTUBHRR-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.00
Rot. Bonds2

About 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol

4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol (PubChem CID 137051928) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
PubChem CID137051928
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
SMILESCNc1nc2ccccc2n2c(-c3ccc(O)c(O)c3)cnc12
InChIInChI=1S/C17H14N4O2/c1-18-16-17-19-9-13(10-6-7-14(22)15(23)8-10)21(17)12-5-3-2-4-11(12)20-16/h2-9,22-23H,1H3,(H,18,20)
InChIKeyKOBYYHFBTUBHRR-UHFFFAOYSA-N
XLogP3.00
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-Amino-6-(3,4-dihydroxyphenyl)pteridin-7-yl]benzene-1,2-diol
CID 135492555
4-(Imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
CID 764266
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
4-(2,4-Diaminopteridin-6-yl)benzene-1,2-diol
CID 135750190
4-(2,4-Diaminopteridin-7-yl)benzene-1,2-diol
CID 135610083
4-(4-Aminopteridin-7-yl)benzene-1,2-diol
CID 135610087
4-Imidazo[1,2-a]pyridin-2-yl-phenol
CID 16682232
4-(6-Methyl-imidazo[1,2-a]pyridin-2-yl)-benzene-1,2-diol
CID 24747132
4-(7-Methyl-imidazo[1,2-a]pyridin-2-yl)-benzene-1,2-diol
CID 24761099
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
2-Methoxy-4-(3-phenylimino-1,7-dihydroimidazo[1,2-a]pyrazin-2-ylidene)-1-cyclohexa-2,5-dienone
CID 5309317
4-[3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 7106793

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
The IUPAC name of 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol (CID 137051928) is 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
The canonical SMILES for 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol is CNc1nc2ccccc2n2c(-c3ccc(O)c(O)c3)cnc12.
What is the InChIKey of 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
The InChIKey is KOBYYHFBTUBHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-18-16-17-19-9-13(10-6-7-14(22)15(23)8-10)21(17)12-5-3-2-4-11(12)20-16/h2-9,22-23H,1H3,(H,18,20).
What are the key properties of 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol has a molecular weight of 306.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol is sourced from PubChem (CID 137051928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).