3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C18H18N4O4 — CID 154742530

IUPAC3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)NC2(CCN(C(=O)c3cc4ccccc4c(=O)n3C)C2)C1=O
InChIInChI=1S/C18H18N4O4/c1-20-13(9-11-5-3-4-6-12(11)14(20)23)15(24)22-8-7-18(10-22)16(25)21(2)17(26)19-18/h3-6,9H,7-8,10H2,1-2H3,(H,19,26)
InChIKeyITRGTGPCVFYULD-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.30
Rot. Bonds1

About 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 154742530) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID154742530
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)NC2(CCN(C(=O)c3cc4ccccc4c(=O)n3C)C2)C1=O
InChIInChI=1S/C18H18N4O4/c1-20-13(9-11-5-3-4-6-12(11)14(20)23)15(24)22-8-7-18(10-22)16(25)21(2)17(26)19-18/h3-6,9H,7-8,10H2,1-2H3,(H,19,26)
InChIKeyITRGTGPCVFYULD-UHFFFAOYSA-N
XLogP0.30
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[4-(2-phenylethyl)piperazine-1-carbonyl]isoquinolin-1-one
CID 136541799
2-methyl-1-oxoisoquinoline-3-carboxamide
CID 171701094
3-methyl-1-(1-methylindole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256327
3-[3-(2-fluoro-3-hydroxyphenyl)piperidine-1-carbonyl]-2-methylisoquinolin-1-one
CID 166284030
2-methyl-1-oxo-N-propylisoquinoline-3-carboxamide
CID 171701439
8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27421170
8-[2-(2H-indazol-3-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 127419534
(5R)-N-(2-but-3-enylphenyl)-3-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 129350078
7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 120803641
3-methyl-8-[3-(2-methyl-4-oxo-1H-quinolin-3-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46977608
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one
CID 120809193
8-[(2R)-3-(4-methoxyphenyl)-2-phenylpropanoyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 92627226

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 154742530) is 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CN1C(=O)NC2(CCN(C(=O)c3cc4ccccc4c(=O)n3C)C2)C1=O.
What is the InChIKey of 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is ITRGTGPCVFYULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-20-13(9-11-5-3-4-6-12(11)14(20)23)15(24)22-8-7-18(10-22)16(25)21(2)17(26)19-18/h3-6,9H,7-8,10H2,1-2H3,(H,19,26).
What are the key properties of 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 354.37 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methyl-1-oxoisoquinoline-3-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 154742530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).