ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline

C21H26N2 — CID 145189562

IUPACethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
SMILESC=Cc1c(/C=C\C)c2nccnc2c2ccccc12.CC.CC
InChIInChI=1S/C17H14N2.2C2H6/c1-3-7-14-12(4-2)13-8-5-6-9-15(13)17-16(14)18-10-11-19-17;2*1-2/h3-11H,2H2,1H3;2*1-2H3/b7-3-;;
InChIKeyDMFJPKHNEDCLBG-NAMRTZQUSA-N
MW306.45 g/mol
LogP6.51
Rot. Bonds2

About ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline

ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline (PubChem CID 145189562) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline.

Molecular Properties

Compound Nameethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
PubChem CID145189562
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Nameethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
SMILESC=Cc1c(/C=C\C)c2nccnc2c2ccccc12.CC.CC
InChIInChI=1S/C17H14N2.2C2H6/c1-3-7-14-12(4-2)13-8-5-6-9-15(13)17-16(14)18-10-11-19-17;2*1-2/h3-11H,2H2,1H3;2*1-2H3/b7-3-;;
InChIKeyDMFJPKHNEDCLBG-NAMRTZQUSA-N
XLogP6.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 56.51
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

5,6-bis(ethenyl)benzo[f]quinoxaline
CID 145147598
5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
CID 130291492
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
CID 123587907
iridium(3+);bis(phenanthro[9,10-b]pyrazine)
CID 160728362
5-ethenyl-20-phenyl-4-[(Z)-prop-1-enyl]-3-thia-8,11,20-triazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),4,7,9,11,14,16,18-nonaene
CID 146651451
[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid
CID 145237300
ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 142106352
2-ethenyl-3-[(Z)-prop-1-enyl]naphthalene-1,4-dicarbonitrile
CID 145213372
10-[3-[7-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129075806
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran
CID 145373970

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline?
The IUPAC name of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline (CID 145189562) is ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline.
What is the SMILES notation for ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline?
The canonical SMILES for ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline is C=Cc1c(/C=C\C)c2nccnc2c2ccccc12.CC.CC.
What is the InChIKey of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline?
The InChIKey is DMFJPKHNEDCLBG-NAMRTZQUSA-N. The full InChI is InChI=1S/C17H14N2.2C2H6/c1-3-7-14-12(4-2)13-8-5-6-9-15(13)17-16(14)18-10-11-19-17;2*1-2/h3-11H,2H2,1H3;2*1-2H3/b7-3-;;.
What are the key properties of ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline?
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline has a molecular weight of 306.45 g/mol, XLogP of 6.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline is sourced from PubChem (CID 145189562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).