1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione

C18H22N4O3 — CID 3430687

IUPAC1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
SMILESCN1CCN2c3ccccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)C2C1
InChIInChI=1S/C18H22N4O3/c1-19-8-9-22-13-7-5-4-6-12(13)10-18(14(22)11-19)15(23)20(2)17(25)21(3)16(18)24/h4-7,14H,8-11H2,1-3H3
InChIKeyNELXOBPOTDGLGF-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.40
Rot. Bonds

About 1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione

1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (PubChem CID 3430687) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.

Molecular Properties

Compound Name1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
PubChem CID3430687
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione
SMILESCN1CCN2c3ccccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)C2C1
InChIInChI=1S/C18H22N4O3/c1-19-8-9-22-13-7-5-4-6-12(13)10-18(14(22)11-19)15(23)20(2)17(25)21(3)16(18)24/h4-7,14H,8-11H2,1-3H3
InChIKeyNELXOBPOTDGLGF-UHFFFAOYSA-N
XLogP0.40
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-(4-phenylpiperazin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one
CID 14925759
1',6'-dimethyl-1-(m-tolyl)-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
CID 665844
1,3-bis[2-oxo-2-(piperidin-1-yl)ethyl]quinazoline-2,4(1H,3H)-dione
CID 1091547
2-[4-(4-o-Tolyl-piperazin-1-yl)-butyl]-hexahydro-pyrido[1,2-a]pyrazine-1,4-dione
CID 10572962
IspH inhibitor, 8
CID 4900227
1,3-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
CID 665886
6-hydroxy-1',6'-dimethyl-3-(propan-2-yl)-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione
CID 665969
1,3,4'-Trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
CID 666281
3'-butyl-6'-hydroxy-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4'(3'H)-dione
CID 666393
1-phenyl-2',3',3a',5'-tetrahydro-1H,1'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(3H)-trione
CID 666702
N-(1,3-dimethyl-2,4,6-trioxo-1,1',2',3,3',3a',4,6-octahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinolin]-7'-yl)acetamide
CID 666750
1-(4-methylphenyl)spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
CID 667155

Frequently Asked Questions

What is the IUPAC name of 1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The IUPAC name of 1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione (CID 3430687) is 1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.
What is the SMILES notation for 1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The canonical SMILES for 1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is CN1CCN2c3ccccc3CC3(C(=O)N(C)C(=O)N(C)C3=O)C2C1.
What is the InChIKey of 1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
The InChIKey is NELXOBPOTDGLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-19-8-9-22-13-7-5-4-6-12(13)10-18(14(22)11-19)15(23)20(2)17(25)21(3)16(18)24/h4-7,14H,8-11H2,1-3H3.
What are the key properties of 1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione?
1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione has a molecular weight of 342.40 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3'-trimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione is sourced from PubChem (CID 3430687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).