6-bromo-3-quinolin-2-ylquinoline

C18H11BrN2 — CID 738746

IUPAC6-bromo-3-quinolin-2-ylquinoline
SMILESBrc1ccc2ncc(-c3ccc4ccccc4n3)cc2c1
InChIInChI=1S/C18H11BrN2/c19-15-6-8-16-13(10-15)9-14(11-20-16)18-7-5-12-3-1-2-4-17(12)21-18/h1-11H
InChIKeySSKGQEYROBTJEU-UHFFFAOYSA-N
MW335.20 g/mol
LogP5.21
Rot. Bonds1

About 6-bromo-3-quinolin-2-ylquinoline

6-bromo-3-quinolin-2-ylquinoline (PubChem CID 738746) has the molecular formula C18H11BrN2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 6-bromo-3-quinolin-2-ylquinoline.

Molecular Properties

Compound Name6-bromo-3-quinolin-2-ylquinoline
PubChem CID738746
Molecular FormulaC18H11BrN2
Molecular Weight335.20 g/mol
Exact Mass334.01
IUPAC Name6-bromo-3-quinolin-2-ylquinoline
SMILESBrc1ccc2ncc(-c3ccc4ccccc4n3)cc2c1
InChIInChI=1S/C18H11BrN2/c19-15-6-8-16-13(10-15)9-14(11-20-16)18-7-5-12-3-1-2-4-17(12)21-18/h1-11H
InChIKeySSKGQEYROBTJEU-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

Analyze 6-bromo-3-quinolin-2-ylquinoline 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 6-bromo-3-quinolin-2-ylquinoline?
The IUPAC name of 6-bromo-3-quinolin-2-ylquinoline (CID 738746) is 6-bromo-3-quinolin-2-ylquinoline.
What is the SMILES notation for 6-bromo-3-quinolin-2-ylquinoline?
The canonical SMILES for 6-bromo-3-quinolin-2-ylquinoline is Brc1ccc2ncc(-c3ccc4ccccc4n3)cc2c1.
What is the InChIKey of 6-bromo-3-quinolin-2-ylquinoline?
The InChIKey is SSKGQEYROBTJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN2/c19-15-6-8-16-13(10-15)9-14(11-20-16)18-7-5-12-3-1-2-4-17(12)21-18/h1-11H.
What are the key properties of 6-bromo-3-quinolin-2-ylquinoline?
6-bromo-3-quinolin-2-ylquinoline 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 6-bromo-3-quinolin-2-ylquinoline is sourced from PubChem (CID 738746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).