1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C21H26N4O3 — CID 26213967

IUPAC1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc3ncccc3c1)CC2
InChIInChI=1S/C21H26N4O3/c1-23-19(26)21(25(20(23)27)12-13-28-2)7-10-24(11-8-21)15-16-5-6-18-17(14-16)4-3-9-22-18/h3-6,9,14H,7-8,10-13,15H2,1-2H3
InChIKeyKQCGKDBCGSKGTD-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.11
Rot. Bonds5

About 1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26213967) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26213967
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc3ncccc3c1)CC2
InChIInChI=1S/C21H26N4O3/c1-23-19(26)21(25(20(23)27)12-13-28-2)7-10-24(11-8-21)15-16-5-6-18-17(14-16)4-3-9-22-18/h3-6,9,14H,7-8,10-13,15H2,1-2H3
InChIKeyKQCGKDBCGSKGTD-UHFFFAOYSA-N
XLogP2.11
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133781
1-(2-methoxyethyl)-3-methyl-8-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227051
1-[2-(4-methoxyphenyl)ethyl]-8-[(3-methoxyphenyl)methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26226545
8-(1-benzothiophen-2-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26136375
1-benzyl-3-methyl-8-[[4-(N-methylanilino)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26146896
8-[(3-hydroxyphenyl)methyl]-1-(2-methoxyethyl)-3-(naphthalen-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221251
8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233429
8-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137235
1-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221965
8-[(4-hydroxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227109
1-(2-methoxyethyl)-8-[(3-methylphenyl)methyl]-3-(3-phenoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169751
8-[[3-(furan-2-yl)phenyl]methyl]-1-(2-methoxyethyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230537

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26213967) is 1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(C)C(=O)C12CCN(Cc1ccc3ncccc3c1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KQCGKDBCGSKGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-23-19(26)21(25(20(23)27)12-13-28-2)7-10-24(11-8-21)15-16-5-6-18-17(14-16)4-3-9-22-18/h3-6,9,14H,7-8,10-13,15H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 382.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26213967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).