3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline

C18H20ClNO — CID 107388327

IUPAC3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline
SMILESClC1CC(Oc2cnc3ccccc3c2)C12CCCCC2
InChIInChI=1S/C18H20ClNO/c19-16-11-17(18(16)8-4-1-5-9-18)21-14-10-13-6-2-3-7-15(13)20-12-14/h2-3,6-7,10,12,16-17H,1,4-5,8-9,11H2
InChIKeyDEIQWIOYSXETKR-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.94
Rot. Bonds2

About 3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline

3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline (PubChem CID 107388327) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline.

Molecular Properties

Compound Name3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline
PubChem CID107388327
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline
SMILESClC1CC(Oc2cnc3ccccc3c2)C12CCCCC2
InChIInChI=1S/C18H20ClNO/c19-16-11-17(18(16)8-4-1-5-9-18)21-14-10-13-6-2-3-7-15(13)20-12-14/h2-3,6-7,10,12,16-17H,1,4-5,8-9,11H2
InChIKeyDEIQWIOYSXETKR-UHFFFAOYSA-N
XLogP4.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.94
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

3-chloro-1-(3-ethoxyphenoxy)spiro[3.5]nonane
CID 66344743
3-chloro-1-(4-iodophenoxy)spiro[3.5]nonane
CID 66343866
8-(3-chlorospiro[3.4]octan-1-yl)oxyquinoline
CID 66344472
N,2-diethyl-2-methyl-3-quinolin-3-yloxycyclobutan-1-amine
CID 107388343
3-(oxan-3-yloxy)quinoline
CID 107388074
3-naphthalen-2-yloxyspiro[3.4]octan-1-amine
CID 66358347
3-chloro-1-[4-(trifluoromethyl)phenoxy]spiro[3.4]octane
CID 66343448
3-chloro-1-(2,6-dibromophenoxy)spiro[3.4]octane
CID 66345711
2-methoxy-3-quinolin-3-yloxycyclobutan-1-amine
CID 107388353
3-chloro-1-(2-ethylphenoxy)spiro[3.4]octane
CID 66344289
3-chloro-1-(2-fluoro-3-methylphenoxy)spiro[3.4]octane
CID 107662297
3-chloro-1-(2,4-dibromophenoxy)spiro[3.5]nonane
CID 66346019

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline?
The IUPAC name of 3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline (CID 107388327) is 3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline.
What is the SMILES notation for 3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline?
The canonical SMILES for 3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline is ClC1CC(Oc2cnc3ccccc3c2)C12CCCCC2.
What is the InChIKey of 3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline?
The InChIKey is DEIQWIOYSXETKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-16-11-17(18(16)8-4-1-5-9-18)21-14-10-13-6-2-3-7-15(13)20-12-14/h2-3,6-7,10,12,16-17H,1,4-5,8-9,11H2.
What are the key properties of 3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline?
3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline has a molecular weight of 301.82 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorospiro[3.5]nonan-1-yl)oxyquinoline is sourced from PubChem (CID 107388327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).