1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one

C17H22N2O2 — CID 134787611

IUPAC1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
SMILESO=C1Nc2ccccc2CC12CN(CC1CCOCC1)C2
InChIInChI=1S/C17H22N2O2/c20-16-17(9-14-3-1-2-4-15(14)18-16)11-19(12-17)10-13-5-7-21-8-6-13/h1-4,13H,5-12H2,(H,18,20)
InChIKeyVBMRMXRSHXBUKE-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.91
Rot. Bonds2

About 1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one

1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one (PubChem CID 134787611) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one.

Molecular Properties

Compound Name1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
PubChem CID134787611
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
SMILESO=C1Nc2ccccc2CC12CN(CC1CCOCC1)C2
InChIInChI=1S/C17H22N2O2/c20-16-17(9-14-3-1-2-4-15(14)18-16)11-19(12-17)10-13-5-7-21-8-6-13/h1-4,13H,5-12H2,(H,18,20)
InChIKeyVBMRMXRSHXBUKE-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one?
The IUPAC name of 1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one (CID 134787611) is 1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one.
What is the SMILES notation for 1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one?
The canonical SMILES for 1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one is O=C1Nc2ccccc2CC12CN(CC1CCOCC1)C2.
What is the InChIKey of 1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one?
The InChIKey is VBMRMXRSHXBUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-17(9-14-3-1-2-4-15(14)18-16)11-19(12-17)10-13-5-7-21-8-6-13/h1-4,13H,5-12H2,(H,18,20).
What are the key properties of 1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one?
1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one has a molecular weight of 286.37 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxan-4-ylmethyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one is sourced from PubChem (CID 134787611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).