(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

C21H25N3O3 — CID 164698500

IUPAC(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1ccc2nc(C)cc(C(=O)N3CC[C@H](O)[C@@]4(CCCNC4=O)C3)c2c1
InChIInChI=1S/C21H25N3O3/c1-13-4-5-17-15(10-13)16(11-14(2)23-17)19(26)24-9-6-18(25)21(12-24)7-3-8-22-20(21)27/h4-5,10-11,18,25H,3,6-9,12H2,1-2H3,(H,22,27)/t18-,21+/m0/s1
InChIKeyVXVCMGQMKDTNHD-GHTZIAJQSA-N
MW367.45 g/mol
LogP1.95
Rot. Bonds1

About (6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164698500) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164698500
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1ccc2nc(C)cc(C(=O)N3CC[C@H](O)[C@@]4(CCCNC4=O)C3)c2c1
InChIInChI=1S/C21H25N3O3/c1-13-4-5-17-15(10-13)16(11-14(2)23-17)19(26)24-9-6-18(25)21(12-24)7-3-8-22-20(21)27/h4-5,10-11,18,25H,3,6-9,12H2,1-2H3,(H,22,27)/t18-,21+/m0/s1
InChIKeyVXVCMGQMKDTNHD-GHTZIAJQSA-N
XLogP1.95
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164696833
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655
(6R,11S)-11-hydroxy-8-(1,2,5-trimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700356
(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164689776
(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691027
(6R,11S)-8-(4-chloro-3-methylbenzoyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164692516
(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164695097
(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164699891
(6R,11R)-11-hydroxy-8-[2-(4-methylphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163318425
(6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164689523
(6R,11R)-11-hydroxy-8-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700515
(6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164693939

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (CID 164698500) is (6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is Cc1ccc2nc(C)cc(C(=O)N3CC[C@H](O)[C@@]4(CCCNC4=O)C3)c2c1.
What is the InChIKey of (6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is VXVCMGQMKDTNHD-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-4-5-17-15(10-13)16(11-14(2)23-17)19(26)24-9-6-18(25)21(12-24)7-3-8-22-20(21)27/h4-5,10-11,18,25H,3,6-9,12H2,1-2H3,(H,22,27)/t18-,21+/m0/s1.
What are the key properties of (6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 367.45 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164698500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).