2-bromo-8-(2-methoxyethyl)quinoline

C12H12BrNO — CID 102941289

IUPAC2-bromo-8-(2-methoxyethyl)quinoline
SMILESCOCCc1cccc2ccc(Br)nc12
InChIInChI=1S/C12H12BrNO/c1-15-8-7-10-4-2-3-9-5-6-11(13)14-12(9)10/h2-6H,7-8H2,1H3
InChIKeyCKXJNQRVENIEGS-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.19
Rot. Bonds3

About 2-bromo-8-(2-methoxyethyl)quinoline

2-bromo-8-(2-methoxyethyl)quinoline (PubChem CID 102941289) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-bromo-8-(2-methoxyethyl)quinoline.

Molecular Properties

Compound Name2-bromo-8-(2-methoxyethyl)quinoline
PubChem CID102941289
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name2-bromo-8-(2-methoxyethyl)quinoline
SMILESCOCCc1cccc2ccc(Br)nc12
InChIInChI=1S/C12H12BrNO/c1-15-8-7-10-4-2-3-9-5-6-11(13)14-12(9)10/h2-6H,7-8H2,1H3
InChIKeyCKXJNQRVENIEGS-UHFFFAOYSA-N
XLogP3.19
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-(2-methoxyethyl)quinoline-2-carboxylic acid
CID 102941517
N-ethyl-8-(2-methoxyethyl)-3-propylquinolin-2-amine
CID 102908280
2-(2-methoxyquinolin-8-yl)ethanamine
CID 135380052
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
8-(2-methoxyethyl)-1H-quinolin-2-one
CID 102908335
1-bromo-8-(2-methoxyethyl)-3-(methoxymethoxy)naphthalene
CID 170004004
8-(2-methoxyethyl)quinolin-4-amine
CID 102908049
3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid
CID 103258774
2-bromo-8-(2,2,2-trifluoroethoxy)quinoline
CID 102941206
1-(3-methoxypropyl)-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 110976485
7-bromo-8-(2-methoxyethoxymethoxy)quinoline
CID 10935865
hexakis(2-aminoquinolin-8-olate);1,2-dimethoxyethane;bis(scandium(3+))
CID 139156737

Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-(2-methoxyethyl)quinoline?
The IUPAC name of 2-bromo-8-(2-methoxyethyl)quinoline (CID 102941289) is 2-bromo-8-(2-methoxyethyl)quinoline.
What is the SMILES notation for 2-bromo-8-(2-methoxyethyl)quinoline?
The canonical SMILES for 2-bromo-8-(2-methoxyethyl)quinoline is COCCc1cccc2ccc(Br)nc12.
What is the InChIKey of 2-bromo-8-(2-methoxyethyl)quinoline?
The InChIKey is CKXJNQRVENIEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-15-8-7-10-4-2-3-9-5-6-11(13)14-12(9)10/h2-6H,7-8H2,1H3.
What are the key properties of 2-bromo-8-(2-methoxyethyl)quinoline?
2-bromo-8-(2-methoxyethyl)quinoline has a molecular weight of 266.14 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-(2-methoxyethyl)quinoline is sourced from PubChem (CID 102941289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).