8,11-dibromoacenaphthyleno[1,2-b]quinoxaline

C18H8Br2N2 — CID 58895030

IUPAC8,11-dibromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1ccc(Br)c2nc3c(nc12)-c1cccc2cccc-3c12
InChIInChI=1S/C18H8Br2N2/c19-12-7-8-13(20)18-17(12)21-15-10-5-1-3-9-4-2-6-11(14(9)10)16(15)22-18/h1-8H
InChIKeyVJTZSGKWVSTMRC-UHFFFAOYSA-N
MW412.08 g/mol
LogP5.96
Rot. Bonds

About 8,11-dibromoacenaphthyleno[1,2-b]quinoxaline

8,11-dibromoacenaphthyleno[1,2-b]quinoxaline (PubChem CID 58895030) has the molecular formula C18H8Br2N2 and a molecular weight of 412.08 g/mol. Its IUPAC name is 8,11-dibromoacenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name8,11-dibromoacenaphthyleno[1,2-b]quinoxaline
PubChem CID58895030
Molecular FormulaC18H8Br2N2
Molecular Weight412.08 g/mol
Exact Mass409.91
IUPAC Name8,11-dibromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1ccc(Br)c2nc3c(nc12)-c1cccc2cccc-3c12
InChIInChI=1S/C18H8Br2N2/c19-12-7-8-13(20)18-17(12)21-15-10-5-1-3-9-4-2-6-11(14(9)10)16(15)22-18/h1-8H
InChIKeyVJTZSGKWVSTMRC-UHFFFAOYSA-N
XLogP5.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.08
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,11-dibromoacenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 8,11-dibromoacenaphthyleno[1,2-b]quinoxaline (CID 58895030) is 8,11-dibromoacenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 8,11-dibromoacenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 8,11-dibromoacenaphthyleno[1,2-b]quinoxaline is Brc1ccc(Br)c2nc3c(nc12)-c1cccc2cccc-3c12.
What is the InChIKey of 8,11-dibromoacenaphthyleno[1,2-b]quinoxaline?
The InChIKey is VJTZSGKWVSTMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Br2N2/c19-12-7-8-13(20)18-17(12)21-15-10-5-1-3-9-4-2-6-11(14(9)10)16(15)22-18/h1-8H.
What are the key properties of 8,11-dibromoacenaphthyleno[1,2-b]quinoxaline?
8,11-dibromoacenaphthyleno[1,2-b]quinoxaline has a molecular weight of 412.08 g/mol, XLogP of 5.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dibromoacenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 58895030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).