4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol

C17H15N5O2 — CID 137051940

IUPAC4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
SMILESCNc1nc2c(N)cccc2n2c(-c3ccc(O)c(O)c3)cnc12
InChIInChI=1S/C17H15N5O2/c1-19-16-17-20-8-12(9-5-6-13(23)14(24)7-9)22(17)11-4-2-3-10(18)15(11)21-16/h2-8,23-24H,18H2,1H3,(H,19,21)
InChIKeyQLCJXYIJVDAHPR-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.58
Rot. Bonds2

About 4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol

4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol (PubChem CID 137051940) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
PubChem CID137051940
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
SMILESCNc1nc2c(N)cccc2n2c(-c3ccc(O)c(O)c3)cnc12
InChIInChI=1S/C17H15N5O2/c1-19-16-17-20-8-12(9-5-6-13(23)14(24)7-9)22(17)11-4-2-3-10(18)15(11)21-16/h2-8,23-24H,18H2,1H3,(H,19,21)
InChIKeyQLCJXYIJVDAHPR-UHFFFAOYSA-N
XLogP2.58
TPSA108.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
CID 121457438
4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
CID 137051950
methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate
CID 140836188
4-[4-(3-aminopropylamino)-8-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
CID 137051939
N'-[1-(3-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]ethane-1,2-diamine
CID 67545571
3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 54757875
5-(4-fluorophenyl)-8-N-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 67252788
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide
CID 66601608
2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate
CID 134184515
5,6-diamino-2-(methylamino)pyridin-3-ol
CID 164909090
2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
CID 82067963

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
The IUPAC name of 4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol (CID 137051940) is 4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
The canonical SMILES for 4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol is CNc1nc2c(N)cccc2n2c(-c3ccc(O)c(O)c3)cnc12.
What is the InChIKey of 4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
The InChIKey is QLCJXYIJVDAHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-19-16-17-20-8-12(9-5-6-13(23)14(24)7-9)22(17)11-4-2-3-10(18)15(11)21-16/h2-8,23-24H,18H2,1H3,(H,19,21).
What are the key properties of 4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol has a molecular weight of 321.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol is sourced from PubChem (CID 137051940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).