5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline

C11H11BrClN — CID 174707024

IUPAC5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline
SMILESClC=CN1CCCc2c(Br)cccc21
InChIInChI=1S/C11H11BrClN/c12-10-4-1-5-11-9(10)3-2-7-14(11)8-6-13/h1,4-6,8H,2-3,7H2
InChIKeyXEVVKFOZWHATCI-UHFFFAOYSA-N
MW272.57 g/mol
LogP3.91
Rot. Bonds1

About 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline

5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline (PubChem CID 174707024) has the molecular formula C11H11BrClN and a molecular weight of 272.57 g/mol. Its IUPAC name is 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline
PubChem CID174707024
Molecular FormulaC11H11BrClN
Molecular Weight272.57 g/mol
Exact Mass270.98
IUPAC Name5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline
SMILESClC=CN1CCCc2c(Br)cccc21
InChIInChI=1S/C11H11BrClN/c12-10-4-1-5-11-9(10)3-2-7-14(11)8-6-13/h1,4-6,8H,2-3,7H2
InChIKeyXEVVKFOZWHATCI-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.57
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline 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 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline (CID 174707024) is 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline is ClC=CN1CCCc2c(Br)cccc21.
What is the InChIKey of 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline?
The InChIKey is XEVVKFOZWHATCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN/c12-10-4-1-5-11-9(10)3-2-7-14(11)8-6-13/h1,4-6,8H,2-3,7H2.
What are the key properties of 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline?
5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline has a molecular weight of 272.57 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-chloroethenyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 174707024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).