3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H17N3O2 — CID 17450906

IUPAC3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1cccc2cccnc12
InChIInChI=1S/C17H17N3O2/c21-15-17(8-1-2-9-17)19-16(22)20(15)11-13-6-3-5-12-7-4-10-18-14(12)13/h3-7,10H,1-2,8-9,11H2,(H,19,22)
InChIKeyAAQKEVHFLPIHIZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.60
Rot. Bonds2

About 3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 17450906) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID17450906
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1cccc2cccnc12
InChIInChI=1S/C17H17N3O2/c21-15-17(8-1-2-9-17)19-16(22)20(15)11-13-6-3-5-12-7-4-10-18-14(12)13/h3-7,10H,1-2,8-9,11H2,(H,19,22)
InChIKeyAAQKEVHFLPIHIZ-UHFFFAOYSA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride
CID 154895878
1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 33097424
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 136532201
5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-(quinolin-8-ylmethyl)imidazolidine-2,4-dione
CID 51294095
3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509213
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide
CID 56585413
1-(quinolin-8-ylmethyl)indole-2,3-dione
CID 3008305
N-[(1-methylcyclopentyl)methyl]-1-quinolin-8-ylmethanamine
CID 63821632
3-(quinolin-8-ylmethylamino)pyrrolidine-2,5-dione
CID 81426474
1-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 114277682
3-[[2-(aminomethyl)-3-pyridinyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62893824

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 17450906) is 3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1Cc1cccc2cccnc12.
What is the InChIKey of 3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is AAQKEVHFLPIHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-15-17(8-1-2-9-17)19-16(22)20(15)11-13-6-3-5-12-7-4-10-18-14(12)13/h3-7,10H,1-2,8-9,11H2,(H,19,22).
What are the key properties of 3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 295.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 17450906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).