8-(3-bromopentyl)quinoline

C14H16BrN — CID 81221481

IUPAC8-(3-bromopentyl)quinoline
SMILESCCC(Br)CCc1cccc2cccnc12
InChIInChI=1S/C14H16BrN/c1-2-13(15)9-8-12-6-3-5-11-7-4-10-16-14(11)12/h3-7,10,13H,2,8-9H2,1H3
InChIKeyNSPJCOCHZQWCNT-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.34
Rot. Bonds4

About 8-(3-bromopentyl)quinoline

8-(3-bromopentyl)quinoline (PubChem CID 81221481) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 8-(3-bromopentyl)quinoline.

Molecular Properties

Compound Name8-(3-bromopentyl)quinoline
PubChem CID81221481
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name8-(3-bromopentyl)quinoline
SMILESCCC(Br)CCc1cccc2cccnc12
InChIInChI=1S/C14H16BrN/c1-2-13(15)9-8-12-6-3-5-11-7-4-10-16-14(11)12/h3-7,10,13H,2,8-9H2,1H3
InChIKeyNSPJCOCHZQWCNT-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 54.34
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-(3-bromopentyl)pyridin-2-amine
CID 64508308
8-(3-chloro-4,4-dimethylpentyl)quinoline
CID 81222111
N-methyl-1-phenyl-3-quinolin-8-ylpropan-1-amine
CID 81230696
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
N-(2-quinolin-8-ylethyl)hexan-2-amine
CID 81298453
aluminum quinolin-8-ylmethanol
CID 23124809
8-[2-(4-fluorophenyl)ethyl]quinoline
CID 143373037
N-methyl-3-quinolin-8-ylpropan-1-amine
CID 70598005
1-quinolin-8-ylpropan-2-amine
CID 63968867
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
6-quinolin-8-ylhexan-3-one
CID 132571149
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromopentyl)quinoline?
The IUPAC name of 8-(3-bromopentyl)quinoline (CID 81221481) is 8-(3-bromopentyl)quinoline.
What is the SMILES notation for 8-(3-bromopentyl)quinoline?
The canonical SMILES for 8-(3-bromopentyl)quinoline is CCC(Br)CCc1cccc2cccnc12.
What is the InChIKey of 8-(3-bromopentyl)quinoline?
The InChIKey is NSPJCOCHZQWCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c1-2-13(15)9-8-12-6-3-5-11-7-4-10-16-14(11)12/h3-7,10,13H,2,8-9H2,1H3.
What are the key properties of 8-(3-bromopentyl)quinoline?
8-(3-bromopentyl)quinoline has a molecular weight of 278.19 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromopentyl)quinoline is sourced from PubChem (CID 81221481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).