3,4-dihydro-1H-quinolin-3-ylium bromide

C9H8BrN — CID 88674384

IUPAC3,4-dihydro-1H-quinolin-3-ylium bromide
SMILES[Br-].[C+]1=CNc2ccccc2C1
InChIInChI=1S/C9H8N.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-2,4,6-7,10H,5H2;1H/q+1;/p-1
InChIKeyBWTXTVXIPPZCJT-UHFFFAOYSA-M
MW210.07 g/mol
LogP-1.02
Rot. Bonds

About 3,4-dihydro-1H-quinolin-3-ylium bromide

3,4-dihydro-1H-quinolin-3-ylium bromide (PubChem CID 88674384) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 3,4-dihydro-1H-quinolin-3-ylium bromide.

Molecular Properties

Compound Name3,4-dihydro-1H-quinolin-3-ylium bromide
PubChem CID88674384
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name3,4-dihydro-1H-quinolin-3-ylium bromide
SMILES[Br-].[C+]1=CNc2ccccc2C1
InChIInChI=1S/C9H8N.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-2,4,6-7,10H,5H2;1H/q+1;/p-1
InChIKeyBWTXTVXIPPZCJT-UHFFFAOYSA-M
XLogP-1.02
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 ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-quinolin-3-ylium bromide?
The IUPAC name of 3,4-dihydro-1H-quinolin-3-ylium bromide (CID 88674384) is 3,4-dihydro-1H-quinolin-3-ylium bromide.
What is the SMILES notation for 3,4-dihydro-1H-quinolin-3-ylium bromide?
The canonical SMILES for 3,4-dihydro-1H-quinolin-3-ylium bromide is [Br-].[C+]1=CNc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-quinolin-3-ylium bromide?
The InChIKey is BWTXTVXIPPZCJT-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N.BrH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-2,4,6-7,10H,5H2;1H/q+1;/p-1.
What are the key properties of 3,4-dihydro-1H-quinolin-3-ylium bromide?
3,4-dihydro-1H-quinolin-3-ylium bromide has a molecular weight of 210.07 g/mol, XLogP of -1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-quinolin-3-ylium bromide is sourced from PubChem (CID 88674384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).