9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline

C25H23N3O2 — CID 3576571

IUPAC9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline
SMILESCOc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(C)cc1
InChIInChI=1S/C25H23N3O2/c1-17-8-10-18(11-9-17)30-15-5-14-28-23-13-12-19(29-2)16-20(23)24-25(28)27-22-7-4-3-6-21(22)26-24/h3-4,6-13,16H,5,14-15H2,1-2H3
InChIKeyIYZPBGDQRPIZIB-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.52
Rot. Bonds6

About 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline

9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline (PubChem CID 3576571) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline
PubChem CID3576571
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline
SMILESCOc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(C)cc1
InChIInChI=1S/C25H23N3O2/c1-17-8-10-18(11-9-17)30-15-5-14-28-23-13-12-19(29-2)16-20(23)24-25(28)27-22-7-4-3-6-21(22)26-24/h3-4,6-13,16H,5,14-15H2,1-2H3
InChIKeyIYZPBGDQRPIZIB-UHFFFAOYSA-N
XLogP5.52
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline with MolForge

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Related Compounds

6-heptyl-9-methoxyindolo[3,2-b]quinoxaline
CID 3449357
6-ethyl-9-methoxyindolo[3,2-b]quinoxaline
CID 945804
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
9-methyl-6-propylindolo[3,2-b]quinoxaline
CID 753381
1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione
CID 4902806
9-methyl-6-(3-pyrrolidin-1-ylpropyl)indolo[3,2-b]quinoxaline
CID 151662365
9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline
CID 2026226
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
9-methoxy-6-propylindolo[2,3-b][1,5]naphthyridine
CID 118525121
N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine
CID 2966419
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
(1S)-1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethanol
CID 7025306

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline (CID 3576571) is 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline is COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccc(C)cc1.
What is the InChIKey of 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline?
The InChIKey is IYZPBGDQRPIZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-17-8-10-18(11-9-17)30-15-5-14-28-23-13-12-19(29-2)16-20(23)24-25(28)27-22-7-4-3-6-21(22)26-24/h3-4,6-13,16H,5,14-15H2,1-2H3.
What are the key properties of 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline?
9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline has a molecular weight of 397.48 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 3576571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).