3-(bromomethyl)-6-propylquinoline

C13H14BrN — CID 95733005

IUPAC3-(bromomethyl)-6-propylquinoline
SMILESCCCc1ccc2ncc(CBr)cc2c1
InChIInChI=1S/C13H14BrN/c1-2-3-10-4-5-13-12(6-10)7-11(8-14)9-15-13/h4-7,9H,2-3,8H2,1H3
InChIKeyILXWTFNASMSATI-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.08
Rot. Bonds3

About 3-(bromomethyl)-6-propylquinoline

3-(bromomethyl)-6-propylquinoline (PubChem CID 95733005) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 3-(bromomethyl)-6-propylquinoline.

Molecular Properties

Compound Name3-(bromomethyl)-6-propylquinoline
PubChem CID95733005
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name3-(bromomethyl)-6-propylquinoline
SMILESCCCc1ccc2ncc(CBr)cc2c1
InChIInChI=1S/C13H14BrN/c1-2-3-10-4-5-13-12(6-10)7-11(8-14)9-15-13/h4-7,9H,2-3,8H2,1H3
InChIKeyILXWTFNASMSATI-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
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-(bromomethyl)-6-ethylquinoline
CID 95733003
3-(bromomethyl)-6-propan-2-ylquinoline
CID 95733004
3,6-diethylquinoline
CID 82111628
N-ethyl-2-(3-methylquinolin-6-yl)ethanamine
CID 116997407
5-(bromomethyl)-3-methyl-2-(4-propylphenoxy)pyridine
CID 107088381
6-(2-chloroethyl)-3-methylquinoline
CID 116997430
3-(bromomethyl)-7-isocyanoquinoline
CID 140902130
3-ethyl-6-propylquinolin-2-amine
CID 63231939
3,7-dipropylisoquinoline
CID 135251714
1-bromo-6-propylisoquinoline
CID 82276403
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
2-methyl-4-(3-methylquinolin-6-yl)butan-2-ol
CID 177184332

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-propylquinoline?
The IUPAC name of 3-(bromomethyl)-6-propylquinoline (CID 95733005) is 3-(bromomethyl)-6-propylquinoline.
What is the SMILES notation for 3-(bromomethyl)-6-propylquinoline?
The canonical SMILES for 3-(bromomethyl)-6-propylquinoline is CCCc1ccc2ncc(CBr)cc2c1.
What is the InChIKey of 3-(bromomethyl)-6-propylquinoline?
The InChIKey is ILXWTFNASMSATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-2-3-10-4-5-13-12(6-10)7-11(8-14)9-15-13/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 3-(bromomethyl)-6-propylquinoline?
3-(bromomethyl)-6-propylquinoline has a molecular weight of 264.17 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-propylquinoline is sourced from PubChem (CID 95733005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).