3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride

C36H46ClIN9O6V- — CID 159556844

About 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride

3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride (PubChem CID 159556844) has the molecular formula C36H46ClIN9O6V- and a molecular weight of 914.12 g/mol. Its IUPAC name is 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride.

Molecular Properties

• Compound Name: 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride
• PubChem CID: 159556844
• Molecular Formula: C36H46ClIN9O6V-
• Molecular Weight: 914.12 g/mol
• Exact Mass: 913.17
• IUPAC Name: 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride
• SMILES: CN1CCN(c2cccc3c2oc(=O)n3C)CC1.Cl.Cn1c(=O)oc2c(N3CCNCC3)cccc21.O=c1[nH]c2cccc(N3CCNCC3)c2o1.[I-].[V]
• InChI: InChI=1S/C13H17N3O2.C12H15N3O2.C11H13N3O2.ClH.HI.V/c1-14-6-8-16(9-7-14)11-5-3-4-10-12(11)18-13(17)15(10)2;1-14-9-3-2-4-10(11(9)17-12(14)16)15-7-5-13-6-8-15;15-11-13-8-2-1-3-9(10(8)16-11)14-6-4-12-5-7-14;;;/h3-5H,6-9H2,1-2H3;2-4,13H,5-8H2,1H3;1-3,12H,4-7H2,(H,13,15);2*1H;/p-1
• InChIKey: QASFSOQTCQPWJX-UHFFFAOYSA-M
• XLogP: -0.62
• TPSA: 153.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.12
LogP ≤ 5	-0.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride?

The IUPAC name of 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride (CID 159556844) is 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride.

What is the SMILES notation for 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride?

The canonical SMILES for 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride is CN1CCN(c2cccc3c2oc(=O)n3C)CC1.Cl.Cn1c(=O)oc2c(N3CCNCC3)cccc21.O=c1[nH]c2cccc(N3CCNCC3)c2o1.[I-].[V].

What is the InChIKey of 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride?

The InChIKey is QASFSOQTCQPWJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H17N3O2.C12H15N3O2.C11H13N3O2.ClH.HI.V/c1-14-6-8-16(9-7-14)11-5-3-4-10-12(11)18-13(17)15(10)2;1-14-9-3-2-4-10(11(9)17-12(14)16)15-7-5-13-6-8-15;15-11-13-8-2-1-3-9(10(8)16-11)14-6-4-12-5-7-14;;;/h3-5H,6-9H2,1-2H3;2-4,13H,5-8H2,1H3;1-3,12H,4-7H2,(H,13,15);2*1H;/p-1.

What are the key properties of 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride?

3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride has a molecular weight of 914.12 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-7-(4-methylpiperazin-1-yl)-1,3-benzoxazol-2-one;3-methyl-7-piperazin-1-yl-1,3-benzoxazol-2-one;7-piperazin-1-yl-3H-1,3-benzoxazol-2-one;vanadium;iodide;hydrochloride is sourced from PubChem (CID 159556844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).