2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline

C17H12BrCl2N — CID 66459431

IUPAC2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
SMILESClc1ccc(C(Br)Cc2ccc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C17H12BrCl2N/c18-15(14-8-6-12(19)9-16(14)20)10-13-7-5-11-3-1-2-4-17(11)21-13/h1-9,15H,10H2
InChIKeyBSQAEUSVXSGBJJ-UHFFFAOYSA-N
MW381.10 g/mol
LogP6.22
Rot. Bonds3

About 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline

2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline (PubChem CID 66459431) has the molecular formula C17H12BrCl2N and a molecular weight of 381.10 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
PubChem CID66459431
Molecular FormulaC17H12BrCl2N
Molecular Weight381.10 g/mol
Exact Mass378.95
IUPAC Name2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline
SMILESClc1ccc(C(Br)Cc2ccc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C17H12BrCl2N/c18-15(14-8-6-12(19)9-16(14)20)10-13-7-5-11-3-1-2-4-17(11)21-13/h1-9,15H,10H2
InChIKeyBSQAEUSVXSGBJJ-UHFFFAOYSA-N
XLogP6.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.10
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-chlorophenyl)-2-quinolin-2-ylethanamine
CID 107989064
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]pyridine
CID 66454612
1-(2,5-dichlorophenyl)-2-quinolin-2-ylethanamine
CID 43118742
2-[2-bromo-2-(2-chloro-6-fluorophenyl)ethyl]quinoline
CID 66461648
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]quinoline
CID 66461439
2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
CID 66461440
2-[2-(5-bromo-2-chlorophenyl)-2-chloroethyl]quinoline
CID 66460552
2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline
CID 66459842
2-bromo-3-quinolin-2-ylpropan-1-ol
CID 119086865
[5-chloro-2-(quinolin-2-ylmethyl)phenyl]methanamine
CID 66159539
2-[1-(2-chlorophenyl)-2-quinolin-2-ylethyl]propanedinitrile
CID 135027760
1-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-2,4-dichlorobenzene
CID 63444214

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline?
The IUPAC name of 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline (CID 66459431) is 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline.
What is the SMILES notation for 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline?
The canonical SMILES for 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline is Clc1ccc(C(Br)Cc2ccc3ccccc3n2)c(Cl)c1.
What is the InChIKey of 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline?
The InChIKey is BSQAEUSVXSGBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrCl2N/c18-15(14-8-6-12(19)9-16(14)20)10-13-7-5-11-3-1-2-4-17(11)21-13/h1-9,15H,10H2.
What are the key properties of 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline?
2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline has a molecular weight of 381.10 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2,4-dichlorophenyl)ethyl]quinoline is sourced from PubChem (CID 66459431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).