2-(2-bromoethyl)-4-methylquinoline

C12H12BrN — CID 174495711

IUPAC2-(2-bromoethyl)-4-methylquinoline
SMILESCc1cc(CCBr)nc2ccccc12
InChIInChI=1S/C12H12BrN/c1-9-8-10(6-7-13)14-12-5-3-2-4-11(9)12/h2-5,8H,6-7H2,1H3
InChIKeyMNZSMZSKGZDFIB-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.48
Rot. Bonds2

About 2-(2-bromoethyl)-4-methylquinoline

2-(2-bromoethyl)-4-methylquinoline (PubChem CID 174495711) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-(2-bromoethyl)-4-methylquinoline.

Molecular Properties

Compound Name2-(2-bromoethyl)-4-methylquinoline
PubChem CID174495711
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name2-(2-bromoethyl)-4-methylquinoline
SMILESCc1cc(CCBr)nc2ccccc12
InChIInChI=1S/C12H12BrN/c1-9-8-10(6-7-13)14-12-5-3-2-4-11(9)12/h2-5,8H,6-7H2,1H3
InChIKeyMNZSMZSKGZDFIB-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-4-methylquinoline?
The IUPAC name of 2-(2-bromoethyl)-4-methylquinoline (CID 174495711) is 2-(2-bromoethyl)-4-methylquinoline.
What is the SMILES notation for 2-(2-bromoethyl)-4-methylquinoline?
The canonical SMILES for 2-(2-bromoethyl)-4-methylquinoline is Cc1cc(CCBr)nc2ccccc12.
What is the InChIKey of 2-(2-bromoethyl)-4-methylquinoline?
The InChIKey is MNZSMZSKGZDFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-9-8-10(6-7-13)14-12-5-3-2-4-11(9)12/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(2-bromoethyl)-4-methylquinoline?
2-(2-bromoethyl)-4-methylquinoline has a molecular weight of 250.14 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-4-methylquinoline is sourced from PubChem (CID 174495711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).