2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione

C24H16N2O6 — CID 6055013

IUPAC2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione
SMILESCC1=CC(=O)C=C/C1=N\OC1=C(O/N=C2\C=CC(=O)C=C2C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H16N2O6/c1-13-11-15(27)7-9-19(13)25-31-23-21(29)17-5-3-4-6-18(17)22(30)24(23)32-26-20-10-8-16(28)12-14(20)2/h3-12H,1-2H3/b25-19+,26-20+
InChIKeyCHBMXZUHZNGNGV-FQHZWJPGSA-N
MW428.40 g/mol
LogP3.19
Rot. Bonds4

About 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione

2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione (PubChem CID 6055013) has the molecular formula C24H16N2O6 and a molecular weight of 428.40 g/mol. Its IUPAC name is 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione.

Molecular Properties

Compound Name2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione
PubChem CID6055013
Molecular FormulaC24H16N2O6
Molecular Weight428.40 g/mol
Exact Mass428.10
IUPAC Name2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione
SMILESCC1=CC(=O)C=C/C1=N\OC1=C(O/N=C2\C=CC(=O)C=C2C)C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H16N2O6/c1-13-11-15(27)7-9-19(13)25-31-23-21(29)17-5-3-4-6-18(17)22(30)24(23)32-26-20-10-8-16(28)12-14(20)2/h3-12H,1-2H3/b25-19+,26-20+
InChIKeyCHBMXZUHZNGNGV-FQHZWJPGSA-N
XLogP3.19
TPSA111.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1Z)-1-acetoxyimino-3-(3-methylbut-2-enyl)-4-oxo-2-naphthyl] acetate
CID 9579445
2,3-Bis({[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy})-1,4-dihydronaphthalene-1,4-dione
CID 3982441
2,3-Bis{[(2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)amino]oxy}naphthoquinone
CID 5339806
(1E)-1-phenacyloxyiminonaphthalen-2-one
CID 71545235
2-[(Z)-butan-2-ylideneamino]oxy-3-chloronaphthalene-1,4-dione
CID 134936527
2,3-Bis{[(3-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)amino]oxy}naphthoquinone
CID 5339586
3,9a-Dimethylbenzo[f][1,2]benzoxazol-9-one
CID 129043615
(2E)-2-[[2-[(E)-C-acetyl-N-methoxycarbonimidoyl]phenyl]methoxyimino]-1-phenylpropan-1-one
CID 141871464
3-Methyl-3,3a-dihydronaphtho[2,3-g][2,1]benzoxazole-6,11-dione
CID 149450046
1H-naphthalen-2-one;O-[(8Z)-3-oxa-2-azabicyclo[10.3.1]hexadeca-1,8,12-trien-13-yl]hydroxylamine;hydrate
CID 158521711
2,3-Bis[[(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione
CID 2847465
2,3-Bis[[(5-methyl-4-oxo-2-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione
CID 3567197

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione?
The IUPAC name of 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione (CID 6055013) is 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione.
What is the SMILES notation for 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione?
The canonical SMILES for 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione is CC1=CC(=O)C=C/C1=N\OC1=C(O/N=C2\C=CC(=O)C=C2C)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione?
The InChIKey is CHBMXZUHZNGNGV-FQHZWJPGSA-N. The full InChI is InChI=1S/C24H16N2O6/c1-13-11-15(27)7-9-19(13)25-31-23-21(29)17-5-3-4-6-18(17)22(30)24(23)32-26-20-10-8-16(28)12-14(20)2/h3-12H,1-2H3/b25-19+,26-20+.
What are the key properties of 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione?
2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione has a molecular weight of 428.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[[(E)-(2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]oxy]naphthalene-1,4-dione is sourced from PubChem (CID 6055013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).