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

C17H18ClNO — CID 103046070

IUPAC5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
SMILESClC1CC(Oc2cccc3ncccc23)C12CCCC2
InChIInChI=1S/C17H18ClNO/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
InChIKeyBUSIWEJYNWARAU-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.55
Rot. Bonds2

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

5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline (PubChem CID 103046070) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline.

Molecular Properties

Compound Name5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
PubChem CID103046070
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
SMILESClC1CC(Oc2cccc3ncccc23)C12CCCC2
InChIInChI=1S/C17H18ClNO/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
InChIKeyBUSIWEJYNWARAU-UHFFFAOYSA-N
XLogP4.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.55
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-bromospiro[3.4]octan-1-yl)oxyquinoline
CID 103046075
8-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
CID 66344472
3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
CID 107662297
3-chloro-1-(2,6-dibromophenoxy)spiro[3.4]octane
CID 66345711
3-chloro-1-(2-ethylphenoxy)spiro[3.4]octane
CID 66344289
3-chloro-1-(2-ethylphenoxy)spiro[3.6]decane
CID 66343872
2,2-dimethyl-N-propyl-3-quinolin-5-yloxycyclobutan-1-amine
CID 103046085
3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline
CID 107388327
3-chloro-1-(5-fluoro-2-methylphenoxy)spiro[3.4]octane
CID 102988661
3-chloro-1-(2-chloro-4-fluorophenoxy)spiro[3.6]decane
CID 66345162
N,4-dimethyl-2-quinolin-5-yloxycyclohexan-1-amine
CID 103044511
3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane
CID 66344743

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline?
The IUPAC name of 5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline (CID 103046070) is 5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline.
What is the SMILES notation for 5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline?
The canonical SMILES for 5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline is ClC1CC(Oc2cccc3ncccc23)C12CCCC2.
What is the InChIKey of 5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline?
The InChIKey is BUSIWEJYNWARAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/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-chlorospiro[3.4]octan-1-yl)oxyquinoline?
5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline has a molecular weight of 287.79 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline is sourced from PubChem (CID 103046070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).