3-bromoacenaphthyleno[1,2-b]quinoxaline

C18H9BrN2 — CID 787246

IUPAC3-bromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1ccc2c3c(cccc13)-c1nc3ccccc3nc1-2
InChIInChI=1S/C18H9BrN2/c19-13-9-8-12-16-10(13)4-3-5-11(16)17-18(12)21-15-7-2-1-6-14(15)20-17/h1-9H
InChIKeyHWGCZFYFWKIEAK-UHFFFAOYSA-N
MW333.19 g/mol
LogP5.19
Rot. Bonds

About 3-bromoacenaphthyleno[1,2-b]quinoxaline

3-bromoacenaphthyleno[1,2-b]quinoxaline (PubChem CID 787246) has the molecular formula C18H9BrN2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 3-bromoacenaphthyleno[1,2-b]quinoxaline.

Molecular Properties

Compound Name3-bromoacenaphthyleno[1,2-b]quinoxaline
PubChem CID787246
Molecular FormulaC18H9BrN2
Molecular Weight333.19 g/mol
Exact Mass331.99
IUPAC Name3-bromoacenaphthyleno[1,2-b]quinoxaline
SMILESBrc1ccc2c3c(cccc13)-c1nc3ccccc3nc1-2
InChIInChI=1S/C18H9BrN2/c19-13-9-8-12-16-10(13)4-3-5-11(16)17-18(12)21-15-7-2-1-6-14(15)20-17/h1-9H
InChIKeyHWGCZFYFWKIEAK-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 3-bromoacenaphthyleno[1,2-b]quinoxaline?
The IUPAC name of 3-bromoacenaphthyleno[1,2-b]quinoxaline (CID 787246) is 3-bromoacenaphthyleno[1,2-b]quinoxaline.
What is the SMILES notation for 3-bromoacenaphthyleno[1,2-b]quinoxaline?
The canonical SMILES for 3-bromoacenaphthyleno[1,2-b]quinoxaline is Brc1ccc2c3c(cccc13)-c1nc3ccccc3nc1-2.
What is the InChIKey of 3-bromoacenaphthyleno[1,2-b]quinoxaline?
The InChIKey is HWGCZFYFWKIEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrN2/c19-13-9-8-12-16-10(13)4-3-5-11(16)17-18(12)21-15-7-2-1-6-14(15)20-17/h1-9H.
What are the key properties of 3-bromoacenaphthyleno[1,2-b]quinoxaline?
3-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 3-bromoacenaphthyleno[1,2-b]quinoxaline is sourced from PubChem (CID 787246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).