6-heptyl-9-methoxyindolo[3,2-b]quinoxaline

C22H25N3O — CID 3449357

IUPAC6-heptyl-9-methoxyindolo[3,2-b]quinoxaline
SMILESCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21
InChIInChI=1S/C22H25N3O/c1-3-4-5-6-9-14-25-20-13-12-16(26-2)15-17(20)21-22(25)24-19-11-8-7-10-18(19)23-21/h7-8,10-13,15H,3-6,9,14H2,1-2H3
InChIKeyZEVNCRFRXWZTEZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.72
Rot. Bonds7

About 6-heptyl-9-methoxyindolo[3,2-b]quinoxaline

6-heptyl-9-methoxyindolo[3,2-b]quinoxaline (PubChem CID 3449357) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-heptyl-9-methoxyindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-heptyl-9-methoxyindolo[3,2-b]quinoxaline
PubChem CID3449357
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name6-heptyl-9-methoxyindolo[3,2-b]quinoxaline
SMILESCCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21
InChIInChI=1S/C22H25N3O/c1-3-4-5-6-9-14-25-20-13-12-16(26-2)15-17(20)21-22(25)24-19-11-8-7-10-18(19)23-21/h7-8,10-13,15H,3-6,9,14H2,1-2H3
InChIKeyZEVNCRFRXWZTEZ-UHFFFAOYSA-N
XLogP5.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-9-methoxyindolo[3,2-b]quinoxaline
CID 945804
9-chloro-6-nonylindolo[3,2-b]quinoxaline
CID 2045581
9-methoxy-6-[3-(4-methylphenoxy)propyl]indolo[3,2-b]quinoxaline
CID 3576571
6-benzyl-9-methoxyindolo[3,2-b]quinoxaline
CID 828074
1-[2-(9-methoxyindolo[3,2-b]quinoxalin-6-yl)ethyl]indole-2,3-dione
CID 4902806
9-methoxy-6-propylindolo[2,3-b][1,5]naphthyridine
CID 118525121
9-butyl-3-methoxycarbazole
CID 132503458
9-methyl-6-propylindolo[3,2-b]quinoxaline
CID 753381
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855
7,9-dibromo-6-octylindolo[3,2-b]quinoxaline
CID 4730374
2-amino-1-dodecyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide
CID 3723011
9-methoxy-6-[[2-(3-methylbutoxy)phenyl]methyl]indolo[3,2-b]quinoxaline
CID 2026226

Frequently Asked Questions

What is the IUPAC name of 6-heptyl-9-methoxyindolo[3,2-b]quinoxaline?
The IUPAC name of 6-heptyl-9-methoxyindolo[3,2-b]quinoxaline (CID 3449357) is 6-heptyl-9-methoxyindolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-heptyl-9-methoxyindolo[3,2-b]quinoxaline?
The canonical SMILES for 6-heptyl-9-methoxyindolo[3,2-b]quinoxaline is CCCCCCCn1c2ccc(OC)cc2c2nc3ccccc3nc21.
What is the InChIKey of 6-heptyl-9-methoxyindolo[3,2-b]quinoxaline?
The InChIKey is ZEVNCRFRXWZTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-3-4-5-6-9-14-25-20-13-12-16(26-2)15-17(20)21-22(25)24-19-11-8-7-10-18(19)23-21/h7-8,10-13,15H,3-6,9,14H2,1-2H3.
What are the key properties of 6-heptyl-9-methoxyindolo[3,2-b]quinoxaline?
6-heptyl-9-methoxyindolo[3,2-b]quinoxaline has a molecular weight of 347.46 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptyl-9-methoxyindolo[3,2-b]quinoxaline is sourced from PubChem (CID 3449357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).