1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione

C19H19N3O3 — CID 666281

IUPAC1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
SMILESCN1C(=O)N(C)C(=O)C2(Cc3c(ccc4ccccc34)N(C)C2)C1=O
InChIInChI=1S/C19H19N3O3/c1-20-11-19(16(23)21(2)18(25)22(3)17(19)24)10-14-13-7-5-4-6-12(13)8-9-15(14)20/h4-9H,10-11H2,1-3H3
InChIKeyFBGZLHQQUBFFOJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.87
Rot. Bonds

About 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione

1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione (PubChem CID 666281) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione.

Molecular Properties

Compound Name1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
PubChem CID666281
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione
SMILESCN1C(=O)N(C)C(=O)C2(Cc3c(ccc4ccccc34)N(C)C2)C1=O
InChIInChI=1S/C19H19N3O3/c1-20-11-19(16(23)21(2)18(25)22(3)17(19)24)10-14-13-7-5-4-6-12(13)8-9-15(14)20/h4-9H,10-11H2,1-3H3
InChIKeyFBGZLHQQUBFFOJ-UHFFFAOYSA-N
XLogP1.87
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione?
The IUPAC name of 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione (CID 666281) is 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione.
What is the SMILES notation for 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione?
The canonical SMILES for 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione is CN1C(=O)N(C)C(=O)C2(Cc3c(ccc4ccccc34)N(C)C2)C1=O.
What is the InChIKey of 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione?
The InChIKey is FBGZLHQQUBFFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-20-11-19(16(23)21(2)18(25)22(3)17(19)24)10-14-13-7-5-4-6-12(13)8-9-15(14)20/h4-9H,10-11H2,1-3H3.
What are the key properties of 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione?
1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione has a molecular weight of 337.38 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4'-trimethylspiro[1,3-diazinane-5,2'-1,3-dihydrobenzo[f]quinoline]-2,4,6-trione is sourced from PubChem (CID 666281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).