(6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

C20H25N3O2 — CID 165423962

IUPAC(6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1ccc2ncccc2c1CN1CC[C@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C20H25N3O2/c1-14-5-6-17-15(4-2-9-21-17)16(14)12-23-11-7-18(24)20(13-23)8-3-10-22-19(20)25/h2,4-6,9,18,24H,3,7-8,10-13H2,1H3,(H,22,25)/t18-,20+/m0/s1
InChIKeyXXMVXRAETKPLQO-AZUAARDMSA-N
MW339.44 g/mol
LogP2.01
Rot. Bonds2

About (6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 165423962) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID165423962
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1ccc2ncccc2c1CN1CC[C@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C20H25N3O2/c1-14-5-6-17-15(4-2-9-21-17)16(14)12-23-11-7-18(24)20(13-23)8-3-10-22-19(20)25/h2,4-6,9,18,24H,3,7-8,10-13H2,1H3,(H,22,25)/t18-,20+/m0/s1
InChIKeyXXMVXRAETKPLQO-AZUAARDMSA-N
XLogP2.01
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one with MolForge

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Related Compounds

(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,11R)-11-hydroxy-8-quinolin-4-yl-2,8-diazaspiro[5.5]undecan-1-one
CID 164695502
(6R,11S)-11-hydroxy-8-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163311348
(6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164693173
(6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163312908
[(4aS,8aS)-1-methyl-7-[(6-methylquinolin-5-yl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135107879
(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one
CID 163318749
(3aR,4R,7aS)-4-ethyl-2-[(6-methylquinolin-5-yl)methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 135114411
(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163314770
4-[[1-[(6-methylquinolin-5-yl)methyl]piperidin-2-yl]methyl]morpholine
CID 77083947
(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164696122

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 165423962) is (6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is Cc1ccc2ncccc2c1CN1CC[C@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is XXMVXRAETKPLQO-AZUAARDMSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-5-6-17-15(4-2-9-21-17)16(14)12-23-11-7-18(24)20(13-23)8-3-10-22-19(20)25/h2,4-6,9,18,24H,3,7-8,10-13H2,1H3,(H,22,25)/t18-,20+/m0/s1.
What are the key properties of (6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 339.44 g/mol, XLogP of 2.01, 2 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-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 165423962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).