3-(bromomethyl)-6-propan-2-ylquinoline

C13H14BrN — CID 95733004

IUPAC3-(bromomethyl)-6-propan-2-ylquinoline
SMILESCC(C)c1ccc2ncc(CBr)cc2c1
InChIInChI=1S/C13H14BrN/c1-9(2)11-3-4-13-12(6-11)5-10(7-14)8-15-13/h3-6,8-9H,7H2,1-2H3
InChIKeySJCDGNZLVVZWQP-UHFFFAOYSA-N
MW264.17 g/mol
LogP4.25
Rot. Bonds2

About 3-(bromomethyl)-6-propan-2-ylquinoline

3-(bromomethyl)-6-propan-2-ylquinoline (PubChem CID 95733004) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is 3-(bromomethyl)-6-propan-2-ylquinoline.

Molecular Properties

Compound Name3-(bromomethyl)-6-propan-2-ylquinoline
PubChem CID95733004
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Name3-(bromomethyl)-6-propan-2-ylquinoline
SMILESCC(C)c1ccc2ncc(CBr)cc2c1
InChIInChI=1S/C13H14BrN/c1-9(2)11-3-4-13-12(6-11)5-10(7-14)8-15-13/h3-6,8-9H,7H2,1-2H3
InChIKeySJCDGNZLVVZWQP-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 54.25
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-propylquinoline
CID 95733005
6-propan-2-ylquinoline-3-carboxylic acid
CID 82113674
3-(2-fluoroethoxy)-6-propan-2-ylquinoline
CID 153470285
6-fluoro-3-propan-2-ylquinoline
CID 90132820
3,6-diethylquinoline
CID 82111628
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 145222399
ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline
CID 164904898
methyl-(3-propan-2-ylquinolin-6-yl)borinic acid
CID 161398353
(6-propan-2-ylquinoxalin-2-yl)methanethiol
CID 142320189
2,8-di(propan-2-yl)phenazine
CID 70800003

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-6-propan-2-ylquinoline?
The IUPAC name of 3-(bromomethyl)-6-propan-2-ylquinoline (CID 95733004) is 3-(bromomethyl)-6-propan-2-ylquinoline.
What is the SMILES notation for 3-(bromomethyl)-6-propan-2-ylquinoline?
The canonical SMILES for 3-(bromomethyl)-6-propan-2-ylquinoline is CC(C)c1ccc2ncc(CBr)cc2c1.
What is the InChIKey of 3-(bromomethyl)-6-propan-2-ylquinoline?
The InChIKey is SJCDGNZLVVZWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN/c1-9(2)11-3-4-13-12(6-11)5-10(7-14)8-15-13/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 3-(bromomethyl)-6-propan-2-ylquinoline?
3-(bromomethyl)-6-propan-2-ylquinoline has a molecular weight of 264.17 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-6-propan-2-ylquinoline is sourced from PubChem (CID 95733004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).