2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one

C21H27N3O2 — CID 70750032

IUPAC2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(c3nc4ccccc4cc3CO)C2)CCC1=O
InChIInChI=1S/C21H27N3O2/c1-2-23-14-21(10-8-19(23)26)9-5-11-24(15-21)20-17(13-25)12-16-6-3-4-7-18(16)22-20/h3-4,6-7,12,25H,2,5,8-11,13-15H2,1H3
InChIKeyOXYNHIRZYWHMMP-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.96
Rot. Bonds3

About 2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one

2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70750032) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70750032
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(c3nc4ccccc4cc3CO)C2)CCC1=O
InChIInChI=1S/C21H27N3O2/c1-2-23-14-21(10-8-19(23)26)9-5-11-24(15-21)20-17(13-25)12-16-6-3-4-7-18(16)22-20/h3-4,6-7,12,25H,2,5,8-11,13-15H2,1H3
InChIKeyOXYNHIRZYWHMMP-UHFFFAOYSA-N
XLogP2.96
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 99713936
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
(6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95880852
2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70785136
[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol
CID 61421257
8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70744817
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867499
2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745770
(6R)-2-ethyl-8-(7H-purin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95868521
2-ethyl-8-(7H-purin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70731111
2-ethyl-8-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70740637

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70750032) is 2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCCN(c3nc4ccccc4cc3CO)C2)CCC1=O.
What is the InChIKey of 2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OXYNHIRZYWHMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-23-14-21(10-8-19(23)26)9-5-11-24(15-21)20-17(13-25)12-16-6-3-4-7-18(16)22-20/h3-4,6-7,12,25H,2,5,8-11,13-15H2,1H3.
What are the key properties of 2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one?
2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 353.47 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70750032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).