(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H26FN3O2 — CID 96576819

IUPAC(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)nc2ccc(F)cc12
InChIInChI=1S/C21H26FN3O2/c1-15-11-19(23-18-4-3-16(22)12-17(15)18)24-8-2-6-21(13-24)7-5-20(27)25(14-21)9-10-26/h3-4,11-12,26H,2,5-10,13-14H2,1H3/t21-/m0/s1
InChIKeyUTAOCYGHFAOLPK-NRFANRHFSA-N
MW371.46 g/mol
LogP2.88
Rot. Bonds3

About (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96576819) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96576819
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC Name(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)nc2ccc(F)cc12
InChIInChI=1S/C21H26FN3O2/c1-15-11-19(23-18-4-3-16(22)12-17(15)18)24-8-2-6-21(13-24)7-5-20(27)25(14-21)9-10-26/h3-4,11-12,26H,2,5-10,13-14H2,1H3/t21-/m0/s1
InChIKeyUTAOCYGHFAOLPK-NRFANRHFSA-N
XLogP2.88
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715511
(6R)-2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95874599
2-cyclopropyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70775884
2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72915393
6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline
CID 46891905
2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70771931
(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96577748
6-fluoro-4-methyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891902
2-(2-hydroxyethyl)-8-[(2,4,6-trifluorophenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70725584
(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96574681
8-[(3,4-dimethylphenyl)methyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740150
(6R)-2-(3-hydroxypropyl)-8-[4-methyl-6-(methylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96579032

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96576819) is (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC[C@]3(CCC(=O)N(CCO)C3)C2)nc2ccc(F)cc12.
What is the InChIKey of (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is UTAOCYGHFAOLPK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-15-11-19(23-18-4-3-16(22)12-17(15)18)24-8-2-6-21(13-24)7-5-20(27)25(14-21)9-10-26/h3-4,11-12,26H,2,5-10,13-14H2,1H3/t21-/m0/s1.
What are the key properties of (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96576819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).