4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol

C18H18N6O2 — CID 137051950

IUPAC4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
SMILESNCCNc1nc2ccc(N)cc2n2c(-c3ccc(O)c(O)c3)cnc12
InChIInChI=1S/C18H18N6O2/c19-5-6-21-17-18-22-9-14(10-1-4-15(25)16(26)7-10)24(18)13-8-11(20)2-3-12(13)23-17/h1-4,7-9,25-26H,5-6,19-20H2,(H,21,23)
InChIKeyXMJLGPQXVKVLFA-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.91
Rot. Bonds4

About 4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol

4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol (PubChem CID 137051950) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
PubChem CID137051950
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
SMILESNCCNc1nc2ccc(N)cc2n2c(-c3ccc(O)c(O)c3)cnc12
InChIInChI=1S/C18H18N6O2/c19-5-6-21-17-18-22-9-14(10-1-4-15(25)16(26)7-10)24(18)13-8-11(20)2-3-12(13)23-17/h1-4,7-9,25-26H,5-6,19-20H2,(H,21,23)
InChIKeyXMJLGPQXVKVLFA-UHFFFAOYSA-N
XLogP1.91
TPSA134.72 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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'}

Analyze 4-[8-amino-4-(2-aminoethylamino)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-(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
methyl 4-amino-1-(3,4-dihydroxyphenyl)imidazo[1,2-a]quinoxaline-8-carboxylate
CID 140836188
4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
CID 137051940
4-[7-amino-4-(propylamino)imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013596
4-[7-amino-4-[[(2R)-2,3-dihydroxypropyl]amino]imidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 89013449
N-cyclopropyl-4-[7,8-difluoro-4-(2-hydroxyethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 66601742
4-[7-amino-4-[(1-methylpyrazol-4-yl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]-N-cyclopropylbenzamide
CID 89013593
1-[3-[8-(2-aminoethylamino)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl]ethanol
CID 20823946
5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
CID 121457438
4-[4-(butylamino)-7,8-difluoroimidazo[1,2-a]quinoxalin-1-yl]-2-chloro-N-cyclopropylbenzamide
CID 66614359
N'-[4-(furan-3-yl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl]ethane-1,2-diamine
CID 25093428

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
The IUPAC name of 4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol (CID 137051950) is 4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
The canonical SMILES for 4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol is NCCNc1nc2ccc(N)cc2n2c(-c3ccc(O)c(O)c3)cnc12.
What is the InChIKey of 4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
The InChIKey is XMJLGPQXVKVLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c19-5-6-21-17-18-22-9-14(10-1-4-15(25)16(26)7-10)24(18)13-8-11(20)2-3-12(13)23-17/h1-4,7-9,25-26H,5-6,19-20H2,(H,21,23).
What are the key properties of 4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol?
4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol has a molecular weight of 350.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-4-(2-aminoethylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol is sourced from PubChem (CID 137051950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).