6-(3-bromopropyl)-2-methylquinoline

C13H14BrN — CID 81221400

IUPAC6-(3-bromopropyl)-2-methylquinoline
SMILESCc1ccc2cc(CCCBr)ccc2n1
InChIInChI=1S/C13H14BrN/c1-10-4-6-12-9-11(3-2-8-14)5-7-13(12)15-10/h4-7,9H,2-3,8H2,1H3
InChIKeyDAVNTVNOOAWJRU-UHFFFAOYSA-N
MW264.17 g/mol
LogP3.87
Rot. Bonds3

About 6-(3-bromopropyl)-2-methylquinoline

6-(3-bromopropyl)-2-methylquinoline (PubChem CID 81221400) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 6-(3-bromopropyl)-2-methylquinoline.

Molecular Properties

Compound Name6-(3-bromopropyl)-2-methylquinoline
PubChem CID81221400
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name6-(3-bromopropyl)-2-methylquinoline
SMILESCc1ccc2cc(CCCBr)ccc2n1
InChIInChI=1S/C13H14BrN/c1-10-4-6-12-9-11(3-2-8-14)5-7-13(12)15-10/h4-7,9H,2-3,8H2,1H3
InChIKeyDAVNTVNOOAWJRU-UHFFFAOYSA-N
XLogP3.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 53.87
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 6-(3-bromopropyl)-2-methylquinoline?
The IUPAC name of 6-(3-bromopropyl)-2-methylquinoline (CID 81221400) is 6-(3-bromopropyl)-2-methylquinoline.
What is the SMILES notation for 6-(3-bromopropyl)-2-methylquinoline?
The canonical SMILES for 6-(3-bromopropyl)-2-methylquinoline is Cc1ccc2cc(CCCBr)ccc2n1.
What is the InChIKey of 6-(3-bromopropyl)-2-methylquinoline?
The InChIKey is DAVNTVNOOAWJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-10-4-6-12-9-11(3-2-8-14)5-7-13(12)15-10/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 6-(3-bromopropyl)-2-methylquinoline?
6-(3-bromopropyl)-2-methylquinoline has a molecular weight of 264.17 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromopropyl)-2-methylquinoline is sourced from PubChem (CID 81221400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).