3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one

C18H21N3O2 — CID 56752764

IUPAC3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCC2(CCCNC2)C1
InChIInChI=1S/C18H21N3O2/c22-16-14(10-13-4-1-2-5-15(13)20-16)17(23)21-9-7-18(12-21)6-3-8-19-11-18/h1-2,4-5,10,19H,3,6-9,11-12H2,(H,20,22)
InChIKeyVPTJJMDWWCLDRS-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.74
Rot. Bonds1

About 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one

3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one (PubChem CID 56752764) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one
PubChem CID56752764
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCC2(CCCNC2)C1
InChIInChI=1S/C18H21N3O2/c22-16-14(10-13-4-1-2-5-15(13)20-16)17(23)21-9-7-18(12-21)6-3-8-19-11-18/h1-2,4-5,10,19H,3,6-9,11-12H2,(H,20,22)
InChIKeyVPTJJMDWWCLDRS-UHFFFAOYSA-N
XLogP1.74
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one;hydrochloride
CID 154889705
3-(2,8-diazaspiro[5.5]undecane-2-carbonyl)-1H-pyridin-2-one
CID 102849780
2,9-diazaspiro[4.5]decan-2-yl-(2,8-dimethylquinolin-3-yl)methanone;dihydrochloride
CID 154890513
[(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
2,9-diazaspiro[4.5]decan-2-yl-(4-methyl-2-phenylpyrimidin-5-yl)methanone
CID 56742818
(2-chlorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038205
2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone
CID 82038235
3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
2,9-diazaspiro[4.5]decan-2-yl(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 56750707
(2-cyclohexyloxyphenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 82038042
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841

Frequently Asked Questions

What is the IUPAC name of 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one (CID 56752764) is 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one is O=C(c1cc2ccccc2[nH]c1=O)N1CCC2(CCCNC2)C1.
What is the InChIKey of 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one?
The InChIKey is VPTJJMDWWCLDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-16-14(10-13-4-1-2-5-15(13)20-16)17(23)21-9-7-18(12-21)6-3-8-19-11-18/h1-2,4-5,10,19H,3,6-9,11-12H2,(H,20,22).
What are the key properties of 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one?
3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one has a molecular weight of 311.38 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,9-diazaspiro[4.5]decane-2-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 56752764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).