4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium

C16H12ClN3O — CID 122226633

IUPAC4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium
SMILES[O-][N+]1=C(c2ccccc2Cl)C2=NCCN2c2ccccc21
InChIInChI=1S/C16H12ClN3O/c17-12-6-2-1-5-11(12)15-16-18-9-10-19(16)13-7-3-4-8-14(13)20(15)21/h1-8H,9-10H2
InChIKeyNXDPRFAWJPGTNB-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.20
Rot. Bonds1

About 4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium

4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium (PubChem CID 122226633) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium
PubChem CID122226633
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium
SMILES[O-][N+]1=C(c2ccccc2Cl)C2=NCCN2c2ccccc21
InChIInChI=1S/C16H12ClN3O/c17-12-6-2-1-5-11(12)15-16-18-9-10-19(16)13-7-3-4-8-14(13)20(15)21/h1-8H,9-10H2
InChIKeyNXDPRFAWJPGTNB-UHFFFAOYSA-N
XLogP3.20
TPSA41.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-naphthalen-1-yl-6-oxido-2,3-dihydro-1H-pyrimido[1,2-a]quinoxalin-6-ium
CID 122226628
2,5-dihydro-1H-imidazo[1,2-a]quinoxalin-4-one
CID 105442499
N-cyclopropyl-2-(5-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-6-yl)acetamide
CID 16675590
4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride
CID 648020
9-amino-6-benzyl-2,3-dihydroimidazo[1,2-c]quinazolin-5-one
CID 13035742
2,4,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,10,12,14-hexaene-5-carbonitrile
CID 19902182
6-(2-chlorophenyl)-8-phenyl-2,3-dihydroimidazo[1,2-b]pyridazine;hydrochloride
CID 24839110
16-(trifluoromethyl)-13-oxa-2,5-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),5,7,9,11,15,17-heptaene
CID 132511211
10-(4-methylpiperazin-1-yl)-2,3-dihydroimidazo[2,1-b]quinazolin-5-one
CID 19847379
1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine
CID 154085559
4-ethyl-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
CID 13077473
2-[7-chloro-5-(2-chlorophenyl)-4-oxido-2-oxo-3H-pyrido[3,2-e][1,4]diazepin-4-ium-1-yl]acetonitrile
CID 110181128

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium?
The IUPAC name of 4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium (CID 122226633) is 4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium.
What is the SMILES notation for 4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium?
The canonical SMILES for 4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium is [O-][N+]1=C(c2ccccc2Cl)C2=NCCN2c2ccccc21.
What is the InChIKey of 4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium?
The InChIKey is NXDPRFAWJPGTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-12-6-2-1-5-11(12)15-16-18-9-10-19(16)13-7-3-4-8-14(13)20(15)21/h1-8H,9-10H2.
What are the key properties of 4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium?
4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium has a molecular weight of 297.75 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-oxido-1,2-dihydroimidazo[1,2-a]quinoxalin-5-ium is sourced from PubChem (CID 122226633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).