(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one

C18H21N3O2 — CID 163318749

IUPAC(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCC[C@]12CN(c1nccc3ccccc13)CC[C@@H]2O
InChIInChI=1S/C18H21N3O2/c22-15-7-11-21(12-18(15)8-3-9-20-17(18)23)16-14-5-2-1-4-13(14)6-10-19-16/h1-2,4-6,10,15,22H,3,7-9,11-12H2,(H,20,23)/t15-,18+/m0/s1
InChIKeyGSDIOCKTMIKGQV-MAUKXSAKSA-N
MW311.38 g/mol
LogP1.70
Rot. Bonds1

About (6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 163318749) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID163318749
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCC[C@]12CN(c1nccc3ccccc13)CC[C@@H]2O
InChIInChI=1S/C18H21N3O2/c22-15-7-11-21(12-18(15)8-3-9-20-17(18)23)16-14-5-2-1-4-13(14)6-10-19-16/h1-2,4-6,10,15,22H,3,7-9,11-12H2,(H,20,23)/t15-,18+/m0/s1
InChIKeyGSDIOCKTMIKGQV-MAUKXSAKSA-N
XLogP1.70
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one (CID 163318749) is (6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one is O=C1NCCC[C@]12CN(c1nccc3ccccc13)CC[C@@H]2O.
What is the InChIKey of (6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is GSDIOCKTMIKGQV-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-15-7-11-21(12-18(15)8-3-9-20-17(18)23)16-14-5-2-1-4-13(14)6-10-19-16/h1-2,4-6,10,15,22H,3,7-9,11-12H2,(H,20,23)/t15-,18+/m0/s1.
What are the key properties of (6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 311.38 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 163318749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).