4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc

C18H20N2O2Zn — CID 6843462

IUPAC4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
SMILESCC1=CC(=CNCCNC=C2C=C(C)C=CC2=O)C(=O)C=C1.[Zn]
InChIInChI=1S/C18H20N2O2.Zn/c1-13-3-5-17(21)15(9-13)11-19-7-8-20-12-16-10-14(2)4-6-18(16)22;/h3-6,9-12,19-20H,7-8H2,1-2H3;
InChIKeySKTCEPBKTKTPNZ-UHFFFAOYSA-N
MW361.76 g/mol
LogP2.10
Rot. Bonds5

About 4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc

4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc (PubChem CID 6843462) has the molecular formula C18H20N2O2Zn and a molecular weight of 361.76 g/mol. Its IUPAC name is 4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc.

Molecular Properties

Compound Name4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
PubChem CID6843462
Molecular FormulaC18H20N2O2Zn
Molecular Weight361.76 g/mol
Exact Mass360.08
IUPAC Name4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
SMILESCC1=CC(=CNCCNC=C2C=C(C)C=CC2=O)C(=O)C=C1.[Zn]
InChIInChI=1S/C18H20N2O2.Zn/c1-13-3-5-17(21)15(9-13)11-19-7-8-20-12-16-10-14(2)4-6-18(16)22;/h3-6,9-12,19-20H,7-8H2,1-2H3;
InChIKeySKTCEPBKTKTPNZ-UHFFFAOYSA-N
XLogP2.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-Bis(salicylidene)ethylenediaminocobalt(II)
CID 11012797
(6Z)-6-[[2-[bis[2-[[(Z)-(5-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethyl]amino]ethylamino]methylidene]-2-methylcyclohexa-2,4-dien-1-one;tris(yttrium)
CID 58747588
Disodium;carbanide;6-[[2-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 59977943
3-methyl-2-(4-oxo-1H-pyridin-2-yl)-1H-pyridin-4-one
CID 69973382
3,7-Dimethyl-1,8-dihydro-1,7-naphthyridin-4-one;ethane
CID 141787654
4-methylcyclohexa-2,4-dien-1-one;5-methyl-1H-pyridin-2-one;propane
CID 161162845
nickel;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379012
iron;tris((6Z)-6-(propylaminomethylidene)cyclohexa-2,4-dien-1-one)
CID 5379606
(6Z)-4-methyl-6-[[2-[[(Z)-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
CID 5385183
manganese;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5462841
copper;(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5462857
(6Z)-6-[[2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc
CID 5473387

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc?
The IUPAC name of 4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc (CID 6843462) is 4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc.
What is the SMILES notation for 4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc?
The canonical SMILES for 4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc is CC1=CC(=CNCCNC=C2C=C(C)C=CC2=O)C(=O)C=C1.[Zn].
What is the InChIKey of 4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc?
The InChIKey is SKTCEPBKTKTPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2.Zn/c1-13-3-5-17(21)15(9-13)11-19-7-8-20-12-16-10-14(2)4-6-18(16)22;/h3-6,9-12,19-20H,7-8H2,1-2H3;.
What are the key properties of 4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc?
4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc has a molecular weight of 361.76 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[[2-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]ethylamino]methylidene]cyclohexa-2,4-dien-1-one;zinc is sourced from PubChem (CID 6843462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).