6-(3-bromopentyl)-2-methylquinoline

C15H18BrN — CID 81221482

IUPAC6-(3-bromopentyl)-2-methylquinoline
SMILESCCC(Br)CCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H18BrN/c1-3-14(16)8-5-12-6-9-15-13(10-12)7-4-11(2)17-15/h4,6-7,9-10,14H,3,5,8H2,1-2H3
InChIKeyTZVOONVAQYULCH-UHFFFAOYSA-N
MW292.22 g/mol
LogP4.65
Rot. Bonds4

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

6-(3-bromopentyl)-2-methylquinoline (PubChem CID 81221482) has the molecular formula C15H18BrN and a molecular weight of 292.22 g/mol. Its IUPAC name is 6-(3-bromopentyl)-2-methylquinoline.

Molecular Properties

Compound Name6-(3-bromopentyl)-2-methylquinoline
PubChem CID81221482
Molecular FormulaC15H18BrN
Molecular Weight292.22 g/mol
Exact Mass291.06
IUPAC Name6-(3-bromopentyl)-2-methylquinoline
SMILESCCC(Br)CCc1ccc2nc(C)ccc2c1
InChIInChI=1S/C15H18BrN/c1-3-14(16)8-5-12-6-9-15-13(10-12)7-4-11(2)17-15/h4,6-7,9-10,14H,3,5,8H2,1-2H3
InChIKeyTZVOONVAQYULCH-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 54.65
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

6-(3-bromopropyl)-2-methylquinoline
CID 81221400
1-(2-methylquinolin-6-yl)-N-propylhexan-3-amine
CID 81230551
(2-methylquinolin-6-yl)methanethiol
CID 105379811
3-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81221614
trimethyl-[(2-methylquinolin-6-yl)methyl]silane
CID 134953516
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
2-methyl-N-[2-(2-methylquinolin-6-yl)ethyl]propan-2-amine
CID 81224077
3-methyl-N-[(2-methylquinolin-6-yl)methyl]pentan-2-amine
CID 105378393
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-(2-methylquinolin-6-yl)acetaldehyde
CID 81224774
2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614788
1-methoxy-N-[(2-methylquinolin-6-yl)methyl]butan-2-amine
CID 105378496

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromopentyl)-2-methylquinoline?
The IUPAC name of 6-(3-bromopentyl)-2-methylquinoline (CID 81221482) is 6-(3-bromopentyl)-2-methylquinoline.
What is the SMILES notation for 6-(3-bromopentyl)-2-methylquinoline?
The canonical SMILES for 6-(3-bromopentyl)-2-methylquinoline is CCC(Br)CCc1ccc2nc(C)ccc2c1.
What is the InChIKey of 6-(3-bromopentyl)-2-methylquinoline?
The InChIKey is TZVOONVAQYULCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN/c1-3-14(16)8-5-12-6-9-15-13(10-12)7-4-11(2)17-15/h4,6-7,9-10,14H,3,5,8H2,1-2H3.
What are the key properties of 6-(3-bromopentyl)-2-methylquinoline?
6-(3-bromopentyl)-2-methylquinoline has a molecular weight of 292.22 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromopentyl)-2-methylquinoline is sourced from PubChem (CID 81221482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).