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

C19H22ClN3O2 — CID 163312908

IUPAC(6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCC[C@]12CN(Cc1ccc3cc(Cl)ccc3n1)CC[C@@H]2O
InChIInChI=1S/C19H22ClN3O2/c20-14-3-5-16-13(10-14)2-4-15(22-16)11-23-9-6-17(24)19(12-23)7-1-8-21-18(19)25/h2-5,10,17,24H,1,6-9,11-12H2,(H,21,25)/t17-,19+/m0/s1
InChIKeyKFGAWZITAORZLO-PKOBYXMFSA-N
MW359.86 g/mol
LogP2.35
Rot. Bonds2

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

(6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 163312908) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID163312908
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name(6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCC[C@]12CN(Cc1ccc3cc(Cl)ccc3n1)CC[C@@H]2O
InChIInChI=1S/C19H22ClN3O2/c20-14-3-5-16-13(10-14)2-4-15(22-16)11-23-9-6-17(24)19(12-23)7-1-8-21-18(19)25/h2-5,10,17,24H,1,6-9,11-12H2,(H,21,25)/t17-,19+/m0/s1
InChIKeyKFGAWZITAORZLO-PKOBYXMFSA-N
XLogP2.35
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 165423962
(6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698502
(6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163311751
(6R,11S)-11-hydroxy-8-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163311348
(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163314770
(6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164694799
6-chloro-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]quinoline
CID 74247744
4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine
CID 29086432
(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164693349
(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one
CID 163318749
9-[(6-ethoxyquinolin-2-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56749582
(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698500

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (CID 163312908) is (6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is O=C1NCCC[C@]12CN(Cc1ccc3cc(Cl)ccc3n1)CC[C@@H]2O.
What is the InChIKey of (6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is KFGAWZITAORZLO-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-14-3-5-16-13(10-14)2-4-15(22-16)11-23-9-6-17(24)19(12-23)7-1-8-21-18(19)25/h2-5,10,17,24H,1,6-9,11-12H2,(H,21,25)/t17-,19+/m0/s1.
What are the key properties of (6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 359.86 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 163312908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).