(5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone

C18H19N5O4 — CID 7619567

IUPAC(5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone
SMILESCCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)NC(=O)N(C)C2=O)[C@H]1C
InChIInChI=1S/C18H19N5O4/c1-4-22-10(2)18(15(25)20-17(27)21(3)16(18)26)9-11-13(22)19-12-7-5-6-8-23(12)14(11)24/h5-8,10H,4,9H2,1-3H3,(H,20,25,27)/t10-,18-/m1/s1
InChIKeyPQGLDAGJJPGXHO-MLCYQJTMSA-N
MW369.38 g/mol
LogP0.16
Rot. Bonds1

About (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone

(5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone (PubChem CID 7619567) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone.

Molecular Properties

Compound Name(5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone
PubChem CID7619567
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name(5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone
SMILESCCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)NC(=O)N(C)C2=O)[C@H]1C
InChIInChI=1S/C18H19N5O4/c1-4-22-10(2)18(15(25)20-17(27)21(3)16(18)26)9-11-13(22)19-12-7-5-6-8-23(12)14(11)24/h5-8,10H,4,9H2,1-3H3,(H,20,25,27)/t10-,18-/m1/s1
InChIKeyPQGLDAGJJPGXHO-MLCYQJTMSA-N
XLogP0.16
TPSA104.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone?
The IUPAC name of (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone (CID 7619567) is (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone.
What is the SMILES notation for (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone?
The canonical SMILES for (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone is CCN1c2nc3ccccn3c(=O)c2C[C@]2(C(=O)NC(=O)N(C)C2=O)[C@H]1C.
What is the InChIKey of (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone?
The InChIKey is PQGLDAGJJPGXHO-MLCYQJTMSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-4-22-10(2)18(15(25)20-17(27)21(3)16(18)26)9-11-13(22)19-12-7-5-6-8-23(12)14(11)24/h5-8,10H,4,9H2,1-3H3,(H,20,25,27)/t10-,18-/m1/s1.
What are the key properties of (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone?
(5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone has a molecular weight of 369.38 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6'R)-7'-ethyl-1,6'-dimethylspiro[1,3-diazinane-5,5'-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene]-2,2',4,6-tetrone is sourced from PubChem (CID 7619567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).