2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C21H26FN3O — CID 70718280

IUPAC2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1ccc3cccc(F)c3n1)CC2
InChIInChI=1S/C21H26FN3O/c1-2-25-15-21(9-8-19(25)26)10-12-24(13-11-21)14-17-7-6-16-4-3-5-18(22)20(16)23-17/h3-7H,2,8-15H2,1H3
InChIKeyOUGLDXDRGRRPLI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.60
Rot. Bonds3

About 2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70718280) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70718280
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCC1=O)CCN(Cc1ccc3cccc(F)c3n1)CC2
InChIInChI=1S/C21H26FN3O/c1-2-25-15-21(9-8-19(25)26)10-12-24(13-11-21)14-17-7-6-16-4-3-5-18(22)20(16)23-17/h3-7H,2,8-15H2,1H3
InChIKeyOUGLDXDRGRRPLI-UHFFFAOYSA-N
XLogP3.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70718280) is 2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCC1=O)CCN(Cc1ccc3cccc(F)c3n1)CC2.
What is the InChIKey of 2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OUGLDXDRGRRPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-2-25-15-21(9-8-19(25)26)10-12-24(13-11-21)14-17-7-6-16-4-3-5-18(22)20(16)23-17/h3-7H,2,8-15H2,1H3.
What are the key properties of 2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 355.46 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-[(8-fluoroquinolin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70718280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).