5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol

C17H14N4O2 — CID 121457438

IUPAC5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
SMILESCNc1nc2ccccc2n2c(-c3cc(O)cc(O)c3)cnc12
InChIInChI=1S/C17H14N4O2/c1-18-16-17-19-9-15(10-6-11(22)8-12(23)7-10)21(17)14-5-3-2-4-13(14)20-16/h2-9,22-23H,1H3,(H,18,20)
InChIKeyVSJRCIRSFNEPRC-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.00
Rot. Bonds2

About 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol

5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol (PubChem CID 121457438) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
PubChem CID121457438
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
SMILESCNc1nc2ccccc2n2c(-c3cc(O)cc(O)c3)cnc12
InChIInChI=1S/C17H14N4O2/c1-18-16-17-19-9-15(10-6-11(22)8-12(23)7-10)21(17)14-5-3-2-4-13(14)20-16/h2-9,22-23H,1H3,(H,18,20)
InChIKeyVSJRCIRSFNEPRC-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

Analyze 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol?
The IUPAC name of 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol (CID 121457438) is 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol?
The canonical SMILES for 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol is CNc1nc2ccccc2n2c(-c3cc(O)cc(O)c3)cnc12.
What is the InChIKey of 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol?
The InChIKey is VSJRCIRSFNEPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-18-16-17-19-9-15(10-6-11(22)8-12(23)7-10)21(17)14-5-3-2-4-13(14)20-16/h2-9,22-23H,1H3,(H,18,20).
What are the key properties of 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol?
5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-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 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol is sourced from PubChem (CID 121457438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).