1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C19H21N3O2 — CID 33097424

IUPAC1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2cccc3cccnc23)C(=O)C12CCCCC2
InChIInChI=1S/C19H21N3O2/c1-21-18(24)22(17(23)19(21)10-3-2-4-11-19)13-15-8-5-7-14-9-6-12-20-16(14)15/h5-9,12H,2-4,10-11,13H2,1H3
InChIKeyDMOPBCXGIYYJQD-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.33
Rot. Bonds2

About 1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 33097424) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID33097424
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(Cc2cccc3cccnc23)C(=O)C12CCCCC2
InChIInChI=1S/C19H21N3O2/c1-21-18(24)22(17(23)19(21)10-3-2-4-11-19)13-15-8-5-7-14-9-6-12-20-16(14)15/h5-9,12H,2-4,10-11,13H2,1H3
InChIKeyDMOPBCXGIYYJQD-UHFFFAOYSA-N
XLogP3.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 36658226
1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione
CID 17492243
N-[(1-methylcyclopentyl)methyl]-1-quinolin-8-ylmethanamine
CID 63821632
1-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 114277682
1-methyl-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24623558
N,N-dimethyl-1-[(quinolin-8-ylmethylamino)methyl]cyclobutan-1-amine
CID 105415743
1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423211
1-(quinolin-8-ylmethyl)indole-2,3-dione
CID 3008305
1-(quinolin-8-ylmethyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one;dihydrochloride
CID 154895878
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43068795

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 33097424) is 1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(Cc2cccc3cccnc23)C(=O)C12CCCCC2.
What is the InChIKey of 1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DMOPBCXGIYYJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21-18(24)22(17(23)19(21)10-3-2-4-11-19)13-15-8-5-7-14-9-6-12-20-16(14)15/h5-9,12H,2-4,10-11,13H2,1H3.
What are the key properties of 1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 323.40 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 33097424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).