5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione

C25H28N2O2 — CID 4874080

IUPAC5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione
SMILESCC1(C)CC(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)C1
InChIInChI=1S/C25H28N2O2/c1-24(2)15-22(28)25(23(29)16-24)14-18-8-6-7-11-20(18)27-13-12-26(17-21(25)27)19-9-4-3-5-10-19/h3-11,21H,12-17H2,1-2H3
InChIKeyRMRCGCWMACQJGR-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.88
Rot. Bonds1

About 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione

5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione (PubChem CID 4874080) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione.

Molecular Properties

Compound Name5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione
PubChem CID4874080
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione
SMILESCC1(C)CC(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)C1
InChIInChI=1S/C25H28N2O2/c1-24(2)15-22(28)25(23(29)16-24)14-18-8-6-7-11-20(18)27-13-12-26(17-21(25)27)19-9-4-3-5-10-19/h3-11,21H,12-17H2,1-2H3
InChIKeyRMRCGCWMACQJGR-UHFFFAOYSA-N
XLogP3.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione?
The IUPAC name of 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione (CID 4874080) is 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione.
What is the SMILES notation for 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione?
The canonical SMILES for 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione is CC1(C)CC(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)C1.
What is the InChIKey of 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione?
The InChIKey is RMRCGCWMACQJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-24(2)15-22(28)25(23(29)16-24)14-18-8-6-7-11-20(18)27-13-12-26(17-21(25)27)19-9-4-3-5-10-19/h3-11,21H,12-17H2,1-2H3.
What are the key properties of 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione?
5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione has a molecular weight of 388.51 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5',5'-dimethyl-3-phenylspiro[2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,2'-cyclohexane]-1',3'-dione is sourced from PubChem (CID 4874080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).