2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

C21H26FN3O — CID 70715511

IUPAC2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(c3cc(C)c4ccc(F)cc4n3)C2)CCC1=O
InChIInChI=1S/C21H26FN3O/c1-3-24-13-21(9-7-20(24)26)8-4-10-25(14-21)19-11-15(2)17-6-5-16(22)12-18(17)23-19/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3
InChIKeyFNRSLUWXLYAYIA-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.91
Rot. Bonds2

About 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70715511) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70715511
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(c3cc(C)c4ccc(F)cc4n3)C2)CCC1=O
InChIInChI=1S/C21H26FN3O/c1-3-24-13-21(9-7-20(24)26)8-4-10-25(14-21)19-11-15(2)17-6-5-16(22)12-18(17)23-19/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3
InChIKeyFNRSLUWXLYAYIA-UHFFFAOYSA-N
XLogP3.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

(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
(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576819
(5S)-2-(7-fluoro-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97197350
(6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95880852
2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72915393
2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70750032
2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70785136
4-(7-fluoro-4-methylquinolin-2-yl)thiomorpholine
CID 31196475
(6R)-2-(pyridin-4-ylmethyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 97117074
(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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70715511) is 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCCN(c3cc(C)c4ccc(F)cc4n3)C2)CCC1=O.
What is the InChIKey of 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is FNRSLUWXLYAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-3-24-13-21(9-7-20(24)26)8-4-10-25(14-21)19-11-15(2)17-6-5-16(22)12-18(17)23-19/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3.
What are the key properties of 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 355.46 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70715511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).