9-chloro-6-nonylindolo[3,2-b]quinoxaline

C23H26ClN3 — CID 2045581

IUPAC9-chloro-6-nonylindolo[3,2-b]quinoxaline
SMILESCCCCCCCCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21
InChIInChI=1S/C23H26ClN3/c1-2-3-4-5-6-7-10-15-27-21-14-13-17(24)16-18(21)22-23(27)26-20-12-9-8-11-19(20)25-22/h8-9,11-14,16H,2-7,10,15H2,1H3
InChIKeyQHKIANFPKMABGN-UHFFFAOYSA-N
MW379.94 g/mol
LogP7.14
Rot. Bonds8

About 9-chloro-6-nonylindolo[3,2-b]quinoxaline

9-chloro-6-nonylindolo[3,2-b]quinoxaline (PubChem CID 2045581) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 9-chloro-6-nonylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name9-chloro-6-nonylindolo[3,2-b]quinoxaline
PubChem CID2045581
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name9-chloro-6-nonylindolo[3,2-b]quinoxaline
SMILESCCCCCCCCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21
InChIInChI=1S/C23H26ClN3/c1-2-3-4-5-6-7-10-15-27-21-14-13-17(24)16-18(21)22-23(27)26-20-12-9-8-11-19(20)25-22/h8-9,11-14,16H,2-7,10,15H2,1H3
InChIKeyQHKIANFPKMABGN-UHFFFAOYSA-N
XLogP7.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-6-nonylindolo[3,2-b]quinoxaline?
The IUPAC name of 9-chloro-6-nonylindolo[3,2-b]quinoxaline (CID 2045581) is 9-chloro-6-nonylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 9-chloro-6-nonylindolo[3,2-b]quinoxaline?
The canonical SMILES for 9-chloro-6-nonylindolo[3,2-b]quinoxaline is CCCCCCCCCn1c2ccc(Cl)cc2c2nc3ccccc3nc21.
What is the InChIKey of 9-chloro-6-nonylindolo[3,2-b]quinoxaline?
The InChIKey is QHKIANFPKMABGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3/c1-2-3-4-5-6-7-10-15-27-21-14-13-17(24)16-18(21)22-23(27)26-20-12-9-8-11-19(20)25-22/h8-9,11-14,16H,2-7,10,15H2,1H3.
What are the key properties of 9-chloro-6-nonylindolo[3,2-b]quinoxaline?
9-chloro-6-nonylindolo[3,2-b]quinoxaline has a molecular weight of 379.94 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-6-nonylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 2045581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).