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

C16H12N4O2 — CID 137051938

IUPAC4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol
SMILESNc1nc2ccccc2n2c(-c3ccc(O)c(O)c3)cnc12
InChIInChI=1S/C16H12N4O2/c17-15-16-18-8-12(9-5-6-13(21)14(22)7-9)20(16)11-4-2-1-3-10(11)19-15/h1-8,21-22H,(H2,17,19)
InChIKeyWRPCZHPRHGMFOO-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.54
Rot. Bonds1

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

4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol (PubChem CID 137051938) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol
PubChem CID137051938
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol
SMILESNc1nc2ccccc2n2c(-c3ccc(O)c(O)c3)cnc12
InChIInChI=1S/C16H12N4O2/c17-15-16-18-8-12(9-5-6-13(21)14(22)7-9)20(16)11-4-2-1-3-10(11)19-15/h1-8,21-22H,(H2,17,19)
InChIKeyWRPCZHPRHGMFOO-UHFFFAOYSA-N
XLogP2.54
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.54
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'}

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Related Compounds

Coelenterazine
CID 135445694
3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
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
3-[2-Phenyl-4-(Pyridin-4-Yl)-1h-Imidazol-5-Yl]phenol
CID 10638921
4-(2,4-Diaminopteridin-6-yl)benzene-1,2-diol
CID 135750190
3-[7-(3-Hydroxyphenyl)pteridin-6-yl]phenol
CID 17755300
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol?
The IUPAC name of 4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol (CID 137051938) is 4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol?
The canonical SMILES for 4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol is Nc1nc2ccccc2n2c(-c3ccc(O)c(O)c3)cnc12.
What is the InChIKey of 4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol?
The InChIKey is WRPCZHPRHGMFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c17-15-16-18-8-12(9-5-6-13(21)14(22)7-9)20(16)11-4-2-1-3-10(11)19-15/h1-8,21-22H,(H2,17,19).
What are the key properties of 4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol?
4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol has a molecular weight of 292.30 g/mol, XLogP of 2.54, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol is sourced from PubChem (CID 137051938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).