2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline

C20H18N2 — CID 143718934

IUPAC2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline
SMILESC/C=C\C=C(/C)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C20H18N2/c1-3-4-10-15(2)19-20(16-11-6-5-7-12-16)22-18-14-9-8-13-17(18)21-19/h3-14H,1-2H3/b4-3-,15-10+
InChIKeyMWHAUCKLKDVRTC-LHJSZICDSA-N
MW286.38 g/mol
LogP5.28
Rot. Bonds3

About 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline

2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline (PubChem CID 143718934) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline.

Molecular Properties

Compound Name2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline
PubChem CID143718934
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline
SMILESC/C=C\C=C(/C)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C20H18N2/c1-3-4-10-15(2)19-20(16-11-6-5-7-12-16)22-18-14-9-8-13-17(18)21-19/h3-14H,1-2H3/b4-3-,15-10+
InChIKeyMWHAUCKLKDVRTC-LHJSZICDSA-N
XLogP5.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline 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

5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-phenylpyrimidine
CID 139472537
5-hexa-2,4-dien-2-ylbenzo[10]annulene
CID 123186746
ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole
CID 145093244
2-(3-bromophenyl)-3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5,6-diphenylpyrazine
CID 171812706
1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene
CID 59878731
benzyl 3-phenylquinoxaline-2-carboxylate
CID 132508697
2-[7-[3-(2-isocyanophenyl)-2-phenylquinoxalin-6-yl]-3-[(2E)-penta-2,4-dien-2-yl]quinoxalin-2-yl]benzonitrile
CID 59806454
2-tert-butyl-3-phenylquinoxaline
CID 621753
2-[4-(2-methylbutan-2-yl)phenyl]-3-phenylquinoxaline
CID 142492990
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenylphenyl)quinoxaline
CID 156561648
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline?
The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline (CID 143718934) is 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline.
What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline?
The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline is C/C=C\C=C(/C)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline?
The InChIKey is MWHAUCKLKDVRTC-LHJSZICDSA-N. The full InChI is InChI=1S/C20H18N2/c1-3-4-10-15(2)19-20(16-11-6-5-7-12-16)22-18-14-9-8-13-17(18)21-19/h3-14H,1-2H3/b4-3-,15-10+.
What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline?
2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline has a molecular weight of 286.38 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline is sourced from PubChem (CID 143718934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).