methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid

C16H20BN5O — CID 58475446

IUPACmethyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid
SMILESCB(O)N1CCN(c2nc3cc(C)ccc3n3ccnc23)CC1
InChIInChI=1S/C16H20BN5O/c1-12-3-4-14-13(11-12)19-16(15-18-5-6-22(14)15)20-7-9-21(10-8-20)17(2)23/h3-6,11,23H,7-10H2,1-2H3
InChIKeyVCPUYXJTXIHFNY-UHFFFAOYSA-N
MW309.18 g/mol
LogP1.42
Rot. Bonds2

About methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid

methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid (PubChem CID 58475446) has the molecular formula C16H20BN5O and a molecular weight of 309.18 g/mol. Its IUPAC name is methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid.

Molecular Properties

Compound Namemethyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid
PubChem CID58475446
Molecular FormulaC16H20BN5O
Molecular Weight309.18 g/mol
Exact Mass309.18
IUPAC Namemethyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid
SMILESCB(O)N1CCN(c2nc3cc(C)ccc3n3ccnc23)CC1
InChIInChI=1S/C16H20BN5O/c1-12-3-4-14-13(11-12)19-16(15-18-5-6-22(14)15)20-7-9-21(10-8-20)17(2)23/h3-6,11,23H,7-10H2,1-2H3
InChIKeyVCPUYXJTXIHFNY-UHFFFAOYSA-N
XLogP1.42
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid?
The IUPAC name of methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid (CID 58475446) is methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid.
What is the SMILES notation for methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid?
The canonical SMILES for methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid is CB(O)N1CCN(c2nc3cc(C)ccc3n3ccnc23)CC1.
What is the InChIKey of methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid?
The InChIKey is VCPUYXJTXIHFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BN5O/c1-12-3-4-14-13(11-12)19-16(15-18-5-6-22(14)15)20-7-9-21(10-8-20)17(2)23/h3-6,11,23H,7-10H2,1-2H3.
What are the key properties of methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid?
methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid has a molecular weight of 309.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(7-methylimidazo[1,2-a]quinoxalin-4-yl)piperazin-1-yl]borinic acid is sourced from PubChem (CID 58475446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).