7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione

C16H15N3O2 — CID 136532201

IUPAC7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1Cc1ccc2ncccc2c1
InChIInChI=1S/C16H15N3O2/c20-14-16(6-2-7-16)18-15(21)19(14)10-11-4-5-13-12(9-11)3-1-8-17-13/h1,3-5,8-9H,2,6-7,10H2,(H,18,21)
InChIKeyGBFDCLBRTDHERZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.21
Rot. Bonds2

About 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione

7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 136532201) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID136532201
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESO=C1NC2(CCC2)C(=O)N1Cc1ccc2ncccc2c1
InChIInChI=1S/C16H15N3O2/c20-14-16(6-2-7-16)18-15(21)19(14)10-11-4-5-13-12(9-11)3-1-8-17-13/h1,3-5,8-9H,2,6-7,10H2,(H,18,21)
InChIKeyGBFDCLBRTDHERZ-UHFFFAOYSA-N
XLogP2.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione with MolForge

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Related Compounds

2-(quinolin-6-ylmethyl)isoindole-1,3-dione
CID 23079294
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 51129751
7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110005331
1-(quinolin-6-ylmethyl)-1,4-diazepan-2-one
CID 65362005
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
[1-(quinolin-6-ylmethylamino)cyclobutyl]methanol
CID 113263671
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-(1,3-benzodioxol-5-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277305

Frequently Asked Questions

What is the IUPAC name of 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione (CID 136532201) is 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione is O=C1NC2(CCC2)C(=O)N1Cc1ccc2ncccc2c1.
What is the InChIKey of 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is GBFDCLBRTDHERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-14-16(6-2-7-16)18-15(21)19(14)10-11-4-5-13-12(9-11)3-1-8-17-13/h1,3-5,8-9H,2,6-7,10H2,(H,18,21).
What are the key properties of 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione?
7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 281.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(quinolin-6-ylmethyl)-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 136532201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).