3-(bromomethyl)-6-ethylquinoline

C12H12BrN — CID 95733003

IUPAC3-(bromomethyl)-6-ethylquinoline
SMILESCCc1ccc2ncc(CBr)cc2c1
InChIInChI=1S/C12H12BrN/c1-2-9-3-4-12-11(5-9)6-10(7-13)8-14-12/h3-6,8H,2,7H2,1H3
InChIKeyQRHOPLHGVYFBTF-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.69
Rot. Bonds2

About 3-(bromomethyl)-6-ethylquinoline

3-(bromomethyl)-6-ethylquinoline (PubChem CID 95733003) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 3-(bromomethyl)-6-ethylquinoline.

Molecular Properties

Compound Name3-(bromomethyl)-6-ethylquinoline
PubChem CID95733003
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name3-(bromomethyl)-6-ethylquinoline
SMILESCCc1ccc2ncc(CBr)cc2c1
InChIInChI=1S/C12H12BrN/c1-2-9-3-4-12-11(5-9)6-10(7-13)8-14-12/h3-6,8H,2,7H2,1H3
InChIKeyQRHOPLHGVYFBTF-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.69
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

3,6-diethylquinoline
CID 82111628
3-(bromomethyl)-6-propylquinoline
CID 95733005
3-(bromomethyl)-6-propan-2-ylquinoline
CID 95733004
3-ethyl-6-(trifluoromethoxy)quinoline
CID 163899089
ethane;ethylbenzene;6-ethylquinoline
CID 143817758
ethane;3-ethyl-1,7-naphthyridine
CID 169252229
2-(bromomethyl)-5-ethylpyrimidine
CID 169043827
2-ethylnaphthalene;3-methylquinoline
CID 143066870
6-ethyl-1H-pyrazolo[5,4-b]quinoline
CID 865231
3-ethylquinoline;quinoline
CID 174966721
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
3-(bromomethyl)-7-isocyanoquinoline
CID 140902130

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-ethylquinoline?
The IUPAC name of 3-(bromomethyl)-6-ethylquinoline (CID 95733003) is 3-(bromomethyl)-6-ethylquinoline.
What is the SMILES notation for 3-(bromomethyl)-6-ethylquinoline?
The canonical SMILES for 3-(bromomethyl)-6-ethylquinoline is CCc1ccc2ncc(CBr)cc2c1.
What is the InChIKey of 3-(bromomethyl)-6-ethylquinoline?
The InChIKey is QRHOPLHGVYFBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-2-9-3-4-12-11(5-9)6-10(7-13)8-14-12/h3-6,8H,2,7H2,1H3.
What are the key properties of 3-(bromomethyl)-6-ethylquinoline?
3-(bromomethyl)-6-ethylquinoline has a molecular weight of 250.14 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-ethylquinoline is sourced from PubChem (CID 95733003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).