8-bromo-1-isoquinolin-8-ylisoquinoline

C18H11BrN2 — CID 67483045

IUPAC8-bromo-1-isoquinolin-8-ylisoquinoline
SMILESBrc1cccc2ccnc(-c3cccc4ccncc34)c12
InChIInChI=1S/C18H11BrN2/c19-16-6-2-4-13-8-10-21-18(17(13)16)14-5-1-3-12-7-9-20-11-15(12)14/h1-11H
InChIKeyRDECOVCWKIFLFJ-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.21
Rot. Bonds1

About 8-bromo-1-isoquinolin-8-ylisoquinoline

8-bromo-1-isoquinolin-8-ylisoquinoline (PubChem CID 67483045) has the molecular formula C18H11BrN2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 8-bromo-1-isoquinolin-8-ylisoquinoline.

Molecular Properties

Compound Name8-bromo-1-isoquinolin-8-ylisoquinoline
PubChem CID67483045
Molecular FormulaC18H11BrN2
Molecular Weight335.20 g/mol
Exact Mass334.01
IUPAC Name8-bromo-1-isoquinolin-8-ylisoquinoline
SMILESBrc1cccc2ccnc(-c3cccc4ccncc34)c12
InChIInChI=1S/C18H11BrN2/c19-16-6-2-4-13-8-10-21-18(17(13)16)14-5-1-3-12-7-9-20-11-15(12)14/h1-11H
InChIKeyRDECOVCWKIFLFJ-UHFFFAOYSA-N
XLogP5.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.20
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-isoquinolin-8-ylisoquinoline?
The IUPAC name of 8-bromo-1-isoquinolin-8-ylisoquinoline (CID 67483045) is 8-bromo-1-isoquinolin-8-ylisoquinoline.
What is the SMILES notation for 8-bromo-1-isoquinolin-8-ylisoquinoline?
The canonical SMILES for 8-bromo-1-isoquinolin-8-ylisoquinoline is Brc1cccc2ccnc(-c3cccc4ccncc34)c12.
What is the InChIKey of 8-bromo-1-isoquinolin-8-ylisoquinoline?
The InChIKey is RDECOVCWKIFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2/c19-16-6-2-4-13-8-10-21-18(17(13)16)14-5-1-3-12-7-9-20-11-15(12)14/h1-11H.
What are the key properties of 8-bromo-1-isoquinolin-8-ylisoquinoline?
8-bromo-1-isoquinolin-8-ylisoquinoline has a molecular weight of 335.20 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-isoquinolin-8-ylisoquinoline is sourced from PubChem (CID 67483045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).