2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone

C20H25N3O — CID 56754864

IUPAC2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone
SMILESCc1nc2c(C)cccc2cc1C(=O)N1CCC2(CCCNC2)C1
InChIInChI=1S/C20H25N3O/c1-14-5-3-6-16-11-17(15(2)22-18(14)16)19(24)23-10-8-20(13-23)7-4-9-21-12-20/h3,5-6,11,21H,4,7-10,12-13H2,1-2H3
InChIKeySDLFZGDJLKWGBF-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.07
Rot. Bonds1

About 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone

2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone (PubChem CID 56754864) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone.

Molecular Properties

Compound Name2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone
PubChem CID56754864
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone
SMILESCc1nc2c(C)cccc2cc1C(=O)N1CCC2(CCCNC2)C1
InChIInChI=1S/C20H25N3O/c1-14-5-3-6-16-11-17(15(2)22-18(14)16)19(24)23-10-8-20(13-23)7-4-9-21-12-20/h3,5-6,11,21H,4,7-10,12-13H2,1-2H3
InChIKeySDLFZGDJLKWGBF-UHFFFAOYSA-N
XLogP3.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone?
The IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone (CID 56754864) is 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone.
What is the SMILES notation for 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone?
The canonical SMILES for 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone is Cc1nc2c(C)cccc2cc1C(=O)N1CCC2(CCCNC2)C1.
What is the InChIKey of 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone?
The InChIKey is SDLFZGDJLKWGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-5-3-6-16-11-17(15(2)22-18(14)16)19(24)23-10-8-20(13-23)7-4-9-21-12-20/h3,5-6,11,21H,4,7-10,12-13H2,1-2H3.
What are the key properties of 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone?
2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone has a molecular weight of 323.44 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone is sourced from PubChem (CID 56754864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).