3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one

C20H27N3O2 — CID 164688908

IUPAC3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(CN2CCC[C@]3(CNCC[C@@H]3O)C2)cc2ccccc21
InChIInChI=1S/C20H27N3O2/c1-22-17-6-3-2-5-15(17)11-16(19(22)25)12-23-10-4-8-20(14-23)13-21-9-7-18(20)24/h2-3,5-6,11,18,21,24H,4,7-10,12-14H2,1H3/t18-,20-/m0/s1
InChIKeyARWRYBRKBBYIRX-ICSRJNTNSA-N
MW341.45 g/mol
LogP1.47
Rot. Bonds2

About 3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one

3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one (PubChem CID 164688908) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one
PubChem CID164688908
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(CN2CCC[C@]3(CNCC[C@@H]3O)C2)cc2ccccc21
InChIInChI=1S/C20H27N3O2/c1-22-17-6-3-2-5-15(17)11-16(19(22)25)12-23-10-4-8-20(14-23)13-21-9-7-18(20)24/h2-3,5-6,11,18,21,24H,4,7-10,12-14H2,1H3/t18-,20-/m0/s1
InChIKeyARWRYBRKBBYIRX-ICSRJNTNSA-N
XLogP1.47
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one?
The IUPAC name of 3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one (CID 164688908) is 3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one?
The canonical SMILES for 3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one is Cn1c(=O)c(CN2CCC[C@]3(CNCC[C@@H]3O)C2)cc2ccccc21.
What is the InChIKey of 3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one?
The InChIKey is ARWRYBRKBBYIRX-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-22-17-6-3-2-5-15(17)11-16(19(22)25)12-23-10-4-8-20(14-23)13-21-9-7-18(20)24/h2-3,5-6,11,18,21,24H,4,7-10,12-14H2,1H3/t18-,20-/m0/s1.
What are the key properties of 3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one?
3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one has a molecular weight of 341.45 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6S,11S)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 164688908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).