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

C20H27Cl2N3O — CID 154890513

IUPAC2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride
SMILESCc1nc2c(C)cccc2cc1C(=O)N1CCC2(CCCNC2)C1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/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;2*1H
InChIKeyGTXVDLSLDJKJSK-UHFFFAOYSA-N
MW396.36 g/mol
LogP3.91
Rot. Bonds1

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

2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride (PubChem CID 154890513) has the molecular formula C20H27Cl2N3O and a molecular weight of 396.36 g/mol. Its IUPAC name is 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride
PubChem CID154890513
Molecular FormulaC20H27Cl2N3O
Molecular Weight396.36 g/mol
Exact Mass395.15
IUPAC Name2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride
SMILESCc1nc2c(C)cccc2cc1C(=O)N1CCC2(CCCNC2)C1.Cl.Cl
InChIInChI=1S/C20H25N3O.2ClH/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;2*1H
InChIKeyGTXVDLSLDJKJSK-UHFFFAOYSA-N
XLogP3.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
CID 95217985
2,9-diazaspiro[4.5]decan-2-yl-(2,4,5-trimethylphenyl)methanone
CID 56754594
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 154889705
2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 56742818
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one
CID 56752764
2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone
CID 102849821
2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 102849920
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone
CID 56745221
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1,6-dimethylquinolin-4-one;hydrochloride
CID 154885407
(2-bromo-4-methylphenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849898
2,9-diazaspiro[4.5]decan-2-yl(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 56750707
2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787

Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride?
The IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride (CID 154890513) is 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride?
The canonical SMILES for 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride is Cc1nc2c(C)cccc2cc1C(=O)N1CCC2(CCCNC2)C1.Cl.Cl.
What is the InChIKey of 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride?
The InChIKey is GTXVDLSLDJKJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O.2ClH/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;2*1H.
What are the key properties of 2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride?
2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride has a molecular weight of 396.36 g/mol, XLogP of 3.91, 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;dihydrochloride is sourced from PubChem (CID 154890513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).