6-(3-bromo-1-methylcyclopentyl)quinoline

C15H16BrN — CID 116540828

IUPAC6-(3-bromo-1-methylcyclopentyl)quinoline
SMILESCC1(c2ccc3ncccc3c2)CCC(Br)C1
InChIInChI=1S/C15H16BrN/c1-15(7-6-13(16)10-15)12-4-5-14-11(9-12)3-2-8-17-14/h2-5,8-9,13H,6-7,10H2,1H3
InChIKeyUKNZNHAKWOIRTM-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.44
Rot. Bonds1

About 6-(3-bromo-1-methylcyclopentyl)quinoline

6-(3-bromo-1-methylcyclopentyl)quinoline (PubChem CID 116540828) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 6-(3-bromo-1-methylcyclopentyl)quinoline.

Molecular Properties

Compound Name6-(3-bromo-1-methylcyclopentyl)quinoline
PubChem CID116540828
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name6-(3-bromo-1-methylcyclopentyl)quinoline
SMILESCC1(c2ccc3ncccc3c2)CCC(Br)C1
InChIInChI=1S/C15H16BrN/c1-15(7-6-13(16)10-15)12-4-5-14-11(9-12)3-2-8-17-14/h2-5,8-9,13H,6-7,10H2,1H3
InChIKeyUKNZNHAKWOIRTM-UHFFFAOYSA-N
XLogP4.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.44
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

4-(methylamino)-1-quinolin-6-ylcyclohexan-1-ol
CID 81221437
4-ethyl-1-quinolin-6-ylcyclohexan-1-amine
CID 81216009
7-quinolin-6-ylbicyclo[4.1.0]heptan-7-amine
CID 79331916
3-methyl-3-quinolin-3-ylcyclopentan-1-ol
CID 116539964
2-ethyl-1-quinolin-6-ylcyclopropan-1-ol
CID 79333859
3-(3-chloro-1-methylcyclopentyl)quinoline
CID 116540254
4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol
CID 81196652
N-(3,3-dimethylcyclopentyl)quinoline-6-carboxamide
CID 115881808
2,2-dimethyl-4-quinolin-6-yloxan-4-ol
CID 81215986
6-(3-bromocyclopentyl)quinoline
CID 81221641
6-(2-cyclopropylazepan-2-yl)quinoline
CID 81229509
1-(3-bromo-1-methylcyclopentyl)-4-cyclopropyloxybenzene
CID 114520246

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-1-methylcyclopentyl)quinoline?
The IUPAC name of 6-(3-bromo-1-methylcyclopentyl)quinoline (CID 116540828) is 6-(3-bromo-1-methylcyclopentyl)quinoline.
What is the SMILES notation for 6-(3-bromo-1-methylcyclopentyl)quinoline?
The canonical SMILES for 6-(3-bromo-1-methylcyclopentyl)quinoline is CC1(c2ccc3ncccc3c2)CCC(Br)C1.
What is the InChIKey of 6-(3-bromo-1-methylcyclopentyl)quinoline?
The InChIKey is UKNZNHAKWOIRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-15(7-6-13(16)10-15)12-4-5-14-11(9-12)3-2-8-17-14/h2-5,8-9,13H,6-7,10H2,1H3.
What are the key properties of 6-(3-bromo-1-methylcyclopentyl)quinoline?
6-(3-bromo-1-methylcyclopentyl)quinoline has a molecular weight of 290.20 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-1-methylcyclopentyl)quinoline is sourced from PubChem (CID 116540828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).