4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline

C19H20N2O — CID 90675552

IUPAC4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline
SMILESCCC/C=C/C=C/c1nc2cccc(OC)c2n2cccc12
InChIInChI=1S/C19H20N2O/c1-3-4-5-6-7-10-15-17-12-9-14-21(17)19-16(20-15)11-8-13-18(19)22-2/h5-14H,3-4H2,1-2H3/b6-5+,10-7+
InChIKeyLVPQNVBJLNNCAJ-WEYXYWBQSA-N
MW292.38 g/mol
LogP4.87
Rot. Bonds5

About 4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline

4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline (PubChem CID 90675552) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline
PubChem CID90675552
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline
SMILESCCC/C=C/C=C/c1nc2cccc(OC)c2n2cccc12
InChIInChI=1S/C19H20N2O/c1-3-4-5-6-7-10-15-17-12-9-14-21(17)19-16(20-15)11-8-13-18(19)22-2/h5-14H,3-4H2,1-2H3/b6-5+,10-7+
InChIKeyLVPQNVBJLNNCAJ-WEYXYWBQSA-N
XLogP4.87
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline (CID 90675552) is 4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline is CCC/C=C/C=C/c1nc2cccc(OC)c2n2cccc12.
What is the InChIKey of 4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline?
The InChIKey is LVPQNVBJLNNCAJ-WEYXYWBQSA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-4-5-6-7-10-15-17-12-9-14-21(17)19-16(20-15)11-8-13-18(19)22-2/h5-14H,3-4H2,1-2H3/b6-5+,10-7+.
What are the key properties of 4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline?
4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline has a molecular weight of 292.38 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-hepta-1,3-dienyl]-9-methoxypyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 90675552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).