8-bromoacenaphthyleno[1,2-b]quinoxaline

C18H9BrN2 — CID 90947427

IUPAC8-bromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1cccc2nc3c(nc12)-c1cccc2cccc-3c12
InChIInChI=1S/C18H9BrN2/c19-13-8-3-9-14-18(13)21-17-12-7-2-5-10-4-1-6-11(15(10)12)16(17)20-14/h1-9H
InChIKeyKMHGVXNZXRXUSN-UHFFFAOYSA-N
MW333.19 g/mol
LogP5.19
Rot. Bonds

About 8-bromoacenaphthyleno[1,2-b]quinoxaline

8-bromoacenaphthyleno[1,2-b]quinoxaline (PubChem CID 90947427) has the molecular formula C18H9BrN2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 8-bromoacenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name8-bromoacenaphthyleno[1,2-b]quinoxaline
PubChem CID90947427
Molecular FormulaC18H9BrN2
Molecular Weight333.19 g/mol
Exact Mass331.99
IUPAC Name8-bromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1cccc2nc3c(nc12)-c1cccc2cccc-3c12
InChIInChI=1S/C18H9BrN2/c19-13-8-3-9-14-18(13)21-17-12-7-2-5-10-4-1-6-11(15(10)12)16(17)20-14/h1-9H
InChIKeyKMHGVXNZXRXUSN-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.19
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromoacenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 8-bromoacenaphthyleno[1,2-b]quinoxaline (CID 90947427) is 8-bromoacenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 8-bromoacenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 8-bromoacenaphthyleno[1,2-b]quinoxaline is Brc1cccc2nc3c(nc12)-c1cccc2cccc-3c12.
What is the InChIKey of 8-bromoacenaphthyleno[1,2-b]quinoxaline?
The InChIKey is KMHGVXNZXRXUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrN2/c19-13-8-3-9-14-18(13)21-17-12-7-2-5-10-4-1-6-11(15(10)12)16(17)20-14/h1-9H.
What are the key properties of 8-bromoacenaphthyleno[1,2-b]quinoxaline?
8-bromoacenaphthyleno[1,2-b]quinoxaline has a molecular weight of 333.19 g/mol, XLogP of 5.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoacenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 90947427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).