9,10-dichloroacenaphthyleno[1,2-b]quinoxaline

C18H8Cl2N2 — CID 139730729

IUPAC9,10-dichloroacenaphthyleno[1,2-b]quinoxaline
SMILESClc1cc2nc3c(nc2cc1Cl)-c1cccc2cccc-3c12
InChIInChI=1S/C18H8Cl2N2/c19-12-7-14-15(8-13(12)20)22-18-11-6-2-4-9-3-1-5-10(16(9)11)17(18)21-14/h1-8H
InChIKeyFTFIEBYPFABWDU-UHFFFAOYSA-N
MW323.18 g/mol
LogP5.74
Rot. Bonds

About 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline

9,10-dichloroacenaphthyleno[1,2-b]quinoxaline (PubChem CID 139730729) has the molecular formula C18H8Cl2N2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name9,10-dichloroacenaphthyleno[1,2-b]quinoxaline
PubChem CID139730729
Molecular FormulaC18H8Cl2N2
Molecular Weight323.18 g/mol
Exact Mass322.01
IUPAC Name9,10-dichloroacenaphthyleno[1,2-b]quinoxaline
SMILESClc1cc2nc3c(nc2cc1Cl)-c1cccc2cccc-3c12
InChIInChI=1S/C18H8Cl2N2/c19-12-7-14-15(8-13(12)20)22-18-11-6-2-4-9-3-1-5-10(16(9)11)17(18)21-14/h1-8H
InChIKeyFTFIEBYPFABWDU-UHFFFAOYSA-N
XLogP5.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.18
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline (CID 139730729) is 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline is Clc1cc2nc3c(nc2cc1Cl)-c1cccc2cccc-3c12.
What is the InChIKey of 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline?
The InChIKey is FTFIEBYPFABWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl2N2/c19-12-7-14-15(8-13(12)20)22-18-11-6-2-4-9-3-1-5-10(16(9)11)17(18)21-14/h1-8H.
What are the key properties of 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline?
9,10-dichloroacenaphthyleno[1,2-b]quinoxaline has a molecular weight of 323.18 g/mol, XLogP of 5.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dichloroacenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 139730729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).