N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide

C21H19N3O2 — CID 100992209

IUPACN-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide
SMILESCN1c2ccccc2N(CC=C2C=CC(=[N+]([O-])O)C=C2)c2ccccc21
InChIInChI=1S/C21H19N3O2/c1-22-18-6-2-4-8-20(18)23(21-9-5-3-7-19(21)22)15-14-16-10-12-17(13-11-16)24(25)26/h2-14H,15H2,1H3,(H,25,26)
InChIKeyLGQCLMXWZOHWTN-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.30
Rot. Bonds2

About N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide

N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide (PubChem CID 100992209) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide.

Molecular Properties

Compound NameN-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide
PubChem CID100992209
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide
SMILESCN1c2ccccc2N(CC=C2C=CC(=[N+]([O-])O)C=C2)c2ccccc21
InChIInChI=1S/C21H19N3O2/c1-22-18-6-2-4-8-20(18)23(21-9-5-3-7-19(21)22)15-14-16-10-12-17(13-11-16)24(25)26/h2-14H,15H2,1H3,(H,25,26)
InChIKeyLGQCLMXWZOHWTN-UHFFFAOYSA-N
XLogP4.30
TPSA52.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[2-[1-[4-[2-[2-[4-[hydroxy(oxido)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butyl]-3,3-dimethylindol-2-ylidene]ethylidene]cyclohexa-2,5-dien-1-imine oxide
CID 89370546
5-methyl-10-octadecylphenazine
CID 10813380
4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101346222
2-(3-methyl-2-methylidenebenzimidazol-1-yl)acetic acid
CID 89334468
2-(5,10-dimethylphenazin-1-yl)acetic acid
CID 156673962
10-methyl-9-(10-methyl-9H-acridin-9-yl)-9H-acridine
CID 11079635
9,9,10-trimethyl-2-nitroacridine
CID 53253608
9,9,10-trimethylacridine
CID 610451
5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 14494633
11-prop-2-enylbenzo[b][1]benzazepine
CID 12580540
2-[2-[4-[2-(5,10-dimethylphenazin-2-yl)ethynyl]phenyl]ethynyl]-5,10-dimethylphenazine
CID 11734255
2-ethenyl-5,10-dimethylphenazine
CID 22055360

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide?
The IUPAC name of N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide (CID 100992209) is N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide.
What is the SMILES notation for N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide?
The canonical SMILES for N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide is CN1c2ccccc2N(CC=C2C=CC(=[N+]([O-])O)C=C2)c2ccccc21.
What is the InChIKey of N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide?
The InChIKey is LGQCLMXWZOHWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-22-18-6-2-4-8-20(18)23(21-9-5-3-7-19(21)22)15-14-16-10-12-17(13-11-16)24(25)26/h2-14H,15H2,1H3,(H,25,26).
What are the key properties of N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide?
N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide has a molecular weight of 345.40 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-(10-methylphenazin-5-yl)ethylidene]cyclohexa-2,5-dien-1-imine oxide is sourced from PubChem (CID 100992209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).