7-(4-bromopentan-2-yl)quinoline

C14H16BrN — CID 81221961

IUPAC7-(4-bromopentan-2-yl)quinoline
SMILESCC(Br)CC(C)c1ccc2cccnc2c1
InChIInChI=1S/C14H16BrN/c1-10(8-11(2)15)13-6-5-12-4-3-7-16-14(12)9-13/h3-7,9-11H,8H2,1-2H3
InChIKeyNCLJBPYIJAFZAS-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.51
Rot. Bonds3

About 7-(4-bromopentan-2-yl)quinoline

7-(4-bromopentan-2-yl)quinoline (PubChem CID 81221961) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 7-(4-bromopentan-2-yl)quinoline.

Molecular Properties

Compound Name7-(4-bromopentan-2-yl)quinoline
PubChem CID81221961
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name7-(4-bromopentan-2-yl)quinoline
SMILESCC(Br)CC(C)c1ccc2cccnc2c1
InChIInChI=1S/C14H16BrN/c1-10(8-11(2)15)13-6-5-12-4-3-7-16-14(12)9-13/h3-7,9-11H,8H2,1-2H3
InChIKeyNCLJBPYIJAFZAS-UHFFFAOYSA-N
XLogP4.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 54.51
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

(3R)-3-quinolin-7-ylbutanal
CID 59922967
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
7-[(Z)-5-iodohept-4-en-2-yl]quinoline
CID 22901309
(4-propan-2-ylphenyl)-quinolin-7-ylmethanamine
CID 81210653
2-propan-2-ylsulfanyl-1-quinolin-7-ylethanamine
CID 81231763
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535
3-methoxy-N-methyl-1-quinolin-7-ylbutan-1-amine
CID 113391406
2-methylsulfonyl-1-quinolin-7-ylpropan-1-amine
CID 105021598
2-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine
CID 81222762
2-quinolin-6-ylpropan-1-amine
CID 79002101
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromopentan-2-yl)quinoline?
The IUPAC name of 7-(4-bromopentan-2-yl)quinoline (CID 81221961) is 7-(4-bromopentan-2-yl)quinoline.
What is the SMILES notation for 7-(4-bromopentan-2-yl)quinoline?
The canonical SMILES for 7-(4-bromopentan-2-yl)quinoline is CC(Br)CC(C)c1ccc2cccnc2c1.
What is the InChIKey of 7-(4-bromopentan-2-yl)quinoline?
The InChIKey is NCLJBPYIJAFZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c1-10(8-11(2)15)13-6-5-12-4-3-7-16-14(12)9-13/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 7-(4-bromopentan-2-yl)quinoline?
7-(4-bromopentan-2-yl)quinoline has a molecular weight of 278.19 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromopentan-2-yl)quinoline is sourced from PubChem (CID 81221961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).