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

C20H19N5O2 — CID 137051911

IUPAC4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cnc3c(N4CCNCC4)nc4ccccc4n23)cc1O
InChIInChI=1S/C20H19N5O2/c26-17-6-5-13(11-18(17)27)16-12-22-19-20(24-9-7-21-8-10-24)23-14-3-1-2-4-15(14)25(16)19/h1-6,11-12,21,26-27H,7-10H2
InChIKeyLVLCYGDSESIBSX-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.37
Rot. Bonds2

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

4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol (PubChem CID 137051911) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol
PubChem CID137051911
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cnc3c(N4CCNCC4)nc4ccccc4n23)cc1O
InChIInChI=1S/C20H19N5O2/c26-17-6-5-13(11-18(17)27)16-12-22-19-20(24-9-7-21-8-10-24)23-14-3-1-2-4-15(14)25(16)19/h1-6,11-12,21,26-27H,7-10H2
InChIKeyLVLCYGDSESIBSX-UHFFFAOYSA-N
XLogP2.37
TPSA85.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol?
The IUPAC name of 4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol (CID 137051911) is 4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol?
The canonical SMILES for 4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol is Oc1ccc(-c2cnc3c(N4CCNCC4)nc4ccccc4n23)cc1O.
What is the InChIKey of 4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol?
The InChIKey is LVLCYGDSESIBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-17-6-5-13(11-18(17)27)16-12-22-19-20(24-9-7-21-8-10-24)23-14-3-1-2-4-15(14)25(16)19/h1-6,11-12,21,26-27H,7-10H2.
What are the key properties of 4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol?
4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol has a molecular weight of 361.41 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperazin-1-ylimidazo[1,2-a]quinoxalin-1-yl)benzene-1,2-diol is sourced from PubChem (CID 137051911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).