2-bromo-1,8a-dihydroquinoline

C9H8BrN — CID 126692028

IUPAC2-bromo-1,8a-dihydroquinoline
SMILESBrC1=CC=C2C=CC=CC2N1
InChIInChI=1S/C9H8BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6,8,11H
InChIKeyFXEJVYCCLMWHFM-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.25
Rot. Bonds

About 2-bromo-1,8a-dihydroquinoline

2-bromo-1,8a-dihydroquinoline (PubChem CID 126692028) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-bromo-1,8a-dihydroquinoline.

Molecular Properties

Compound Name2-bromo-1,8a-dihydroquinoline
PubChem CID126692028
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name2-bromo-1,8a-dihydroquinoline
SMILESBrC1=CC=C2C=CC=CC2N1
InChIInChI=1S/C9H8BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6,8,11H
InChIKeyFXEJVYCCLMWHFM-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-bromo-1,8a-dihydroquinoline 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 2-bromo-1,8a-dihydroquinoline?
The IUPAC name of 2-bromo-1,8a-dihydroquinoline (CID 126692028) is 2-bromo-1,8a-dihydroquinoline.
What is the SMILES notation for 2-bromo-1,8a-dihydroquinoline?
The canonical SMILES for 2-bromo-1,8a-dihydroquinoline is BrC1=CC=C2C=CC=CC2N1.
What is the InChIKey of 2-bromo-1,8a-dihydroquinoline?
The InChIKey is FXEJVYCCLMWHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6,8,11H.
What are the key properties of 2-bromo-1,8a-dihydroquinoline?
2-bromo-1,8a-dihydroquinoline has a molecular weight of 210.07 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,8a-dihydroquinoline is sourced from PubChem (CID 126692028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).