5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline

C17H18BrNO — CID 103046075

IUPAC5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline
SMILESBrC1CC(Oc2cccc3ncccc23)C12CCCC2
InChIInChI=1S/C17H18BrNO/c18-15-11-16(17(15)8-1-2-9-17)20-14-7-3-6-13-12(14)5-4-10-19-13/h3-7,10,15-16H,1-2,8-9,11H2
InChIKeyJNOITLLSXKTKOV-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.71
Rot. Bonds2

About 5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline

5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline (PubChem CID 103046075) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline.

Molecular Properties

Compound Name5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline
PubChem CID103046075
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline
SMILESBrC1CC(Oc2cccc3ncccc23)C12CCCC2
InChIInChI=1S/C17H18BrNO/c18-15-11-16(17(15)8-1-2-9-17)20-14-7-3-6-13-12(14)5-4-10-19-13/h3-7,10,15-16H,1-2,8-9,11H2
InChIKeyJNOITLLSXKTKOV-UHFFFAOYSA-N
XLogP4.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
CID 103046070
3-bromo-1-(2,3-dimethylphenoxy)spiro[3.6]decane
CID 66344194
2,2-dimethyl-N-propyl-3-quinolin-5-yloxycyclobutan-1-amine
CID 103046085
8-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
CID 66344472
N,4-dimethyl-2-quinolin-5-yloxycyclohexan-1-amine
CID 103044511
3-bromo-1-(3-methoxyphenoxy)spiro[3.6]decane
CID 66345253
3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane
CID 66345275
3-bromo-1-(2,5-dichlorophenoxy)spiro[3.5]nonane
CID 66345459
4-methyl-2-quinolin-5-yloxycyclohexan-1-amine
CID 103044546
3-bromo-1-(3,4-dichlorophenoxy)spiro[3.4]octane
CID 66345993
3-bromo-1-(2,3,6-trimethylphenoxy)spiro[3.6]decane
CID 66345969
O-quinolin-5-ylhydroxylamine;hydrochloride
CID 162421843

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline?
The IUPAC name of 5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline (CID 103046075) is 5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline.
What is the SMILES notation for 5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline?
The canonical SMILES for 5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline is BrC1CC(Oc2cccc3ncccc23)C12CCCC2.
What is the InChIKey of 5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline?
The InChIKey is JNOITLLSXKTKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c18-15-11-16(17(15)8-1-2-9-17)20-14-7-3-6-13-12(14)5-4-10-19-13/h3-7,10,15-16H,1-2,8-9,11H2.
What are the key properties of 5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline?
5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline has a molecular weight of 332.24 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromospiro[3.4]octan-1-yl)oxyquinoline is sourced from PubChem (CID 103046075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).