(5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline

C17H16N2 — CID 155477207

IUPAC(5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline
SMILESC/C=c1\c(=C/C)c2nc(C)cnc2c2ccccc12
InChIInChI=1S/C17H16N2/c1-4-12-13(5-2)17-16(18-10-11(3)19-17)15-9-7-6-8-14(12)15/h4-10H,1-3H3/b12-4+,13-5+
InChIKeyXMFYAWRXWRDDQK-QGVJZHQLSA-N
MW248.33 g/mol
LogP2.69
Rot. Bonds

About (5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline

(5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline (PubChem CID 155477207) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline.

Molecular Properties

Compound Name(5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline
PubChem CID155477207
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name(5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline
SMILESC/C=c1\c(=C/C)c2nc(C)cnc2c2ccccc12
InChIInChI=1S/C17H16N2/c1-4-12-13(5-2)17-16(18-10-11(3)19-17)15-9-7-6-8-14(12)15/h4-10H,1-3H3/b12-4+,13-5+
InChIKeyXMFYAWRXWRDDQK-QGVJZHQLSA-N
XLogP2.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3,5,6,7-tetramethylpyrazino[2,3-f][1,10]phenanthroline
CID 157282596
(5E,6Z)-5,6-di(ethylidene)-10-[5-[(Z)-4-methoxypent-2-en-2-yl]oxypentan-2-yl]-3-methylbenzo[f]quinoxaline
CID 129074772
2-ethylphenanthro[9,10-b]pyridine;2-ethylphenanthro[9,10-d]pyrimidine;methane;3-methylphenanthro[9,10-b]pyrazine
CID 159081200
4,10-dimethyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 165049809
CID 89132061
CID 89132061
3-[(3Z)-penta-1,3-dien-2-yl]phenanthro[9,10-b]pyrazine
CID 143888831
(3E,4Z)-4-ethylidene-3-prop-2-enylideneisoquinoline
CID 143672117
1,4-dimethylphenanthridine
CID 122403892
5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;3-methyl-12H-phenanthro[9,10-b]pyrazin-12-ide
CID 146691033
bis(2-methylquinoxaline);hydrate
CID 118096878
5,6,7,8-tetrafluoro-2-methylquinoxaline
CID 98040625
(9E)-9-ethylidene-10-methylidenephenanthrene
CID 142424633

Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline?
The IUPAC name of (5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline (CID 155477207) is (5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline.
What is the SMILES notation for (5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline?
The canonical SMILES for (5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline is C/C=c1\c(=C/C)c2nc(C)cnc2c2ccccc12.
What is the InChIKey of (5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline?
The InChIKey is XMFYAWRXWRDDQK-QGVJZHQLSA-N. The full InChI is InChI=1S/C17H16N2/c1-4-12-13(5-2)17-16(18-10-11(3)19-17)15-9-7-6-8-14(12)15/h4-10H,1-3H3/b12-4+,13-5+.
What are the key properties of (5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline?
(5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline has a molecular weight of 248.33 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-5,6-di(ethylidene)-3-methylbenzo[f]quinoxaline is sourced from PubChem (CID 155477207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).