9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline

C17H16N2O — CID 90675548

IUPAC9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline
SMILESC/C=C/C=C/c1nc2cccc(OC)c2n2cccc12
InChIInChI=1S/C17H16N2O/c1-3-4-5-8-13-15-10-7-12-19(15)17-14(18-13)9-6-11-16(17)20-2/h3-12H,1-2H3/b4-3+,8-5+
InChIKeyBOZOOHPCCIMVTG-SALQQRKASA-N
MW264.33 g/mol
LogP4.09
Rot. Bonds3

About 9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline

9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline (PubChem CID 90675548) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline
PubChem CID90675548
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline
SMILESC/C=C/C=C/c1nc2cccc(OC)c2n2cccc12
InChIInChI=1S/C17H16N2O/c1-3-4-5-8-13-15-10-7-12-19(15)17-14(18-13)9-6-11-16(17)20-2/h3-12H,1-2H3/b4-3+,8-5+
InChIKeyBOZOOHPCCIMVTG-SALQQRKASA-N
XLogP4.09
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,6-Dimethoxyphenazine
CID 617641
1-Methoxyphenazine
CID 76137
6-Methoxyquinoxaline
CID 241501
1-Phenylbenzimidazole deriv. 55
CID 5328457
4-(3-Fluorophenoxy)pyrrolo[1,2-a]quinoxaline
CID 1471610
8-methoxy-4-[(E)-prop-1-enyl]pyrrolo[1,2-a]quinoxaline
CID 44422083
7-methoxy-4-[(E)-pent-1-enyl]pyrrolo[1,2-a]quinoxaline
CID 44422134
4-[(1E,3E)-hepta-1,3-dienyl]-7-methoxy-pyrrolo[1,2-a]quinoxaline
CID 90675550
4-(7-methoxypyrrolo[1,2-a]quinoxalin-4-yl)-N,N-dimethylaniline
CID 127052549
7-Methoxy-4-methylpyrrolo[1,2-a]quinoxaline
CID 122364198
Quinoxaline, 5,8-dimethoxy-6-((2-(dimethylamino)ethyl)amino)-
CID 547598
1-Methoxyphenazine methosulfate
CID 127832

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline?
The IUPAC name of 9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline (CID 90675548) is 9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline is C/C=C/C=C/c1nc2cccc(OC)c2n2cccc12.
What is the InChIKey of 9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline?
The InChIKey is BOZOOHPCCIMVTG-SALQQRKASA-N. The full InChI is InChI=1S/C17H16N2O/c1-3-4-5-8-13-15-10-7-12-19(15)17-14(18-13)9-6-11-16(17)20-2/h3-12H,1-2H3/b4-3+,8-5+.
What are the key properties of 9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline?
9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline has a molecular weight of 264.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-[(1E,3E)-penta-1,3-dienyl]pyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 90675548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).