4-(2-bromo-2-phenylethyl)quinoline

C17H14BrN — CID 63202521

IUPAC4-(2-bromo-2-phenylethyl)quinoline
SMILESBrC(Cc1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C17H14BrN/c18-16(13-6-2-1-3-7-13)12-14-10-11-19-17-9-5-4-8-15(14)17/h1-11,16H,12H2
InChIKeyKIPLAWMOVJYROF-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.91
Rot. Bonds3

About 4-(2-bromo-2-phenylethyl)quinoline

4-(2-bromo-2-phenylethyl)quinoline (PubChem CID 63202521) has the molecular formula C17H14BrN and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-(2-bromo-2-phenylethyl)quinoline.

Molecular Properties

Compound Name4-(2-bromo-2-phenylethyl)quinoline
PubChem CID63202521
Molecular FormulaC17H14BrN
Molecular Weight312.21 g/mol
Exact Mass311.03
IUPAC Name4-(2-bromo-2-phenylethyl)quinoline
SMILESBrC(Cc1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C17H14BrN/c18-16(13-6-2-1-3-7-13)12-14-10-11-19-17-9-5-4-8-15(14)17/h1-11,16H,12H2
InChIKeyKIPLAWMOVJYROF-UHFFFAOYSA-N
XLogP4.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.91
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

2-phenyl-3-quinolin-4-ylpropanoic acid
CID 79422879
4-(2-ethylbutyl)quinoline
CID 143495355
3-quinolin-4-yl-2-(quinolin-4-ylmethyl)propanal
CID 19824915
4-(2-chlorobutyl)quinoline
CID 63203241
2,3-dimethyl-4-quinolin-4-ylbutan-1-amine
CID 81015009
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-ol
CID 103547520
1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
CID 104997404
(1-pyridin-4-yl-2-quinolin-4-ylethyl)hydrazine
CID 105196495
1-cyclopropyl-2-quinolin-4-ylethanol
CID 63353390
3-methoxy-3-oxo-2-(quinolin-4-ylmethyl)propanoic acid
CID 103973243
2-quinolin-4-yl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104997388
1-(2-iodophenyl)-2-quinolin-4-ylethanamine
CID 104997408

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-2-phenylethyl)quinoline?
The IUPAC name of 4-(2-bromo-2-phenylethyl)quinoline (CID 63202521) is 4-(2-bromo-2-phenylethyl)quinoline.
What is the SMILES notation for 4-(2-bromo-2-phenylethyl)quinoline?
The canonical SMILES for 4-(2-bromo-2-phenylethyl)quinoline is BrC(Cc1ccnc2ccccc12)c1ccccc1.
What is the InChIKey of 4-(2-bromo-2-phenylethyl)quinoline?
The InChIKey is KIPLAWMOVJYROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN/c18-16(13-6-2-1-3-7-13)12-14-10-11-19-17-9-5-4-8-15(14)17/h1-11,16H,12H2.
What are the key properties of 4-(2-bromo-2-phenylethyl)quinoline?
4-(2-bromo-2-phenylethyl)quinoline has a molecular weight of 312.21 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-2-phenylethyl)quinoline is sourced from PubChem (CID 63202521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).