2-(2-bromoethyl)-8-propan-2-ylquinoline

C14H16BrN — CID 175289474

IUPAC2-(2-bromoethyl)-8-propan-2-ylquinoline
SMILESCC(C)c1cccc2ccc(CCBr)nc12
InChIInChI=1S/C14H16BrN/c1-10(2)13-5-3-4-11-6-7-12(8-9-15)16-14(11)13/h3-7,10H,8-9H2,1-2H3
InChIKeyBPKVMMIFOHRSKG-UHFFFAOYSA-N
MW278.19 g/mol
LogP4.30
Rot. Bonds3

About 2-(2-bromoethyl)-8-propan-2-ylquinoline

2-(2-bromoethyl)-8-propan-2-ylquinoline (PubChem CID 175289474) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-(2-bromoethyl)-8-propan-2-ylquinoline.

Molecular Properties

Compound Name2-(2-bromoethyl)-8-propan-2-ylquinoline
PubChem CID175289474
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name2-(2-bromoethyl)-8-propan-2-ylquinoline
SMILESCC(C)c1cccc2ccc(CCBr)nc12
InChIInChI=1S/C14H16BrN/c1-10(2)13-5-3-4-11-6-7-12(8-9-15)16-14(11)13/h3-7,10H,8-9H2,1-2H3
InChIKeyBPKVMMIFOHRSKG-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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

N,N-dimethyl-8-propan-2-ylquinolin-2-amine
CID 130267032
4-propan-2-ylacridine
CID 87209750
3,8-di(propan-2-yl)quinolin-2-amine
CID 63231952
2-(3-methyl-8-propan-2-ylquinolin-2-yl)ethanamine
CID 82242686
CID 157249645
CID 157249645
4-(bromomethyl)-2,8-di(propan-2-yl)quinoline
CID 82448081
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
8-ethyl-2-propylquinoline
CID 58320607
2-(2-methylpropoxymethyl)quinolin-8-ol
CID 175691376
CID 10695390
CID 10695390
ethane;7-methyl-1-propan-2-ylnaphthalene
CID 177009970
2-(8-aminoquinolin-2-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 110451248

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-8-propan-2-ylquinoline?
The IUPAC name of 2-(2-bromoethyl)-8-propan-2-ylquinoline (CID 175289474) is 2-(2-bromoethyl)-8-propan-2-ylquinoline.
What is the SMILES notation for 2-(2-bromoethyl)-8-propan-2-ylquinoline?
The canonical SMILES for 2-(2-bromoethyl)-8-propan-2-ylquinoline is CC(C)c1cccc2ccc(CCBr)nc12.
What is the InChIKey of 2-(2-bromoethyl)-8-propan-2-ylquinoline?
The InChIKey is BPKVMMIFOHRSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c1-10(2)13-5-3-4-11-6-7-12(8-9-15)16-14(11)13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 2-(2-bromoethyl)-8-propan-2-ylquinoline?
2-(2-bromoethyl)-8-propan-2-ylquinoline has a molecular weight of 278.19 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-8-propan-2-ylquinoline is sourced from PubChem (CID 175289474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).