(6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone

C21H26FN3O2 — CID 164693939

IUPAC(6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)c2cc(F)ccc2n1
InChIInChI=1S/C21H26FN3O2/c1-14-10-17(16-11-15(22)4-5-18(16)23-14)20(27)25-8-3-7-21(13-25)12-24(2)9-6-19(21)26/h4-5,10-11,19,26H,3,6-9,12-13H2,1-2H3/t19-,21-/m0/s1
InChIKeyHJTAETVAZBXUNR-FPOVZHCZSA-N
MW371.46 g/mol
LogP2.60
Rot. Bonds1

About (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone

(6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone (PubChem CID 164693939) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
PubChem CID164693939
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name(6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)c2cc(F)ccc2n1
InChIInChI=1S/C21H26FN3O2/c1-14-10-17(16-11-15(22)4-5-18(16)23-14)20(27)25-8-3-7-21(13-25)12-24(2)9-6-19(21)26/h4-5,10-11,19,26H,3,6-9,12-13H2,1-2H3/t19-,21-/m0/s1
InChIKeyHJTAETVAZBXUNR-FPOVZHCZSA-N
XLogP2.60
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
(2,4-difluoro-3-methoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164699456
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70759141
[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 164696167
[3-[(4-fluorophenyl)methylamino]phenyl]-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164692352
[3-(dimethylamino)phenyl]-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164699031
2-(4-fluoroanilino)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]ethanone
CID 164689214
(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698500
(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95716535
methyl 2-[3-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecane-2-carbonyl]anilino]acetate
CID 165421124
(4-ethoxyphenyl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 164697904
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70732609

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The IUPAC name of (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone (CID 164693939) is (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone.
What is the SMILES notation for (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The canonical SMILES for (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone is Cc1cc(C(=O)N2CCC[C@]3(CN(C)CC[C@@H]3O)C2)c2cc(F)ccc2n1.
What is the InChIKey of (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The InChIKey is HJTAETVAZBXUNR-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-14-10-17(16-11-15(22)4-5-18(16)23-14)20(27)25-8-3-7-21(13-25)12-24(2)9-6-19(21)26/h4-5,10-11,19,26H,3,6-9,12-13H2,1-2H3/t19-,21-/m0/s1.
What are the key properties of (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
(6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone has a molecular weight of 371.46 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methylquinolin-4-yl)-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone is sourced from PubChem (CID 164693939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).