1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one

C18H19NO2 — CID 66367866

IUPAC1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one
SMILESCc1ccc2cccc(OC3CC(=O)C34CCCC4)c2n1
InChIInChI=1S/C18H19NO2/c1-12-7-8-13-5-4-6-14(17(13)19-12)21-16-11-15(20)18(16)9-2-3-10-18/h4-8,16H,2-3,9-11H2,1H3
InChIKeyZBBPWXJQNVDMBQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.82
Rot. Bonds2

About 1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one

1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one (PubChem CID 66367866) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one.

Molecular Properties

Compound Name1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one
PubChem CID66367866
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one
SMILESCc1ccc2cccc(OC3CC(=O)C34CCCC4)c2n1
InChIInChI=1S/C18H19NO2/c1-12-7-8-13-5-4-6-14(17(13)19-12)21-16-11-15(20)18(16)9-2-3-10-18/h4-8,16H,2-3,9-11H2,1H3
InChIKeyZBBPWXJQNVDMBQ-UHFFFAOYSA-N
XLogP3.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one?
The IUPAC name of 1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one (CID 66367866) is 1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one.
What is the SMILES notation for 1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one?
The canonical SMILES for 1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one is Cc1ccc2cccc(OC3CC(=O)C34CCCC4)c2n1.
What is the InChIKey of 1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one?
The InChIKey is ZBBPWXJQNVDMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-7-8-13-5-4-6-14(17(13)19-12)21-16-11-15(20)18(16)9-2-3-10-18/h4-8,16H,2-3,9-11H2,1H3.
What are the key properties of 1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one?
1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one has a molecular weight of 281.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-8-yl)oxyspiro[3.4]octan-3-one is sourced from PubChem (CID 66367866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).