2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione

C19H19NO4 — CID 666313

IUPAC2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione
SMILESCN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O
InChIInChI=1S/C19H19NO4/c1-18(2)23-16(21)19(17(22)24-18)10-14-13-7-5-4-6-12(13)8-9-15(14)20(3)11-19/h4-9H,10-11H2,1-3H3
InChIKeyGZYQGCVTBBFBPH-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.65
Rot. Bonds

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

2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione (PubChem CID 666313) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione.

Molecular Properties

Compound Name2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione
PubChem CID666313
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione
SMILESCN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O
InChIInChI=1S/C19H19NO4/c1-18(2)23-16(21)19(17(22)24-18)10-14-13-7-5-4-6-12(13)8-9-15(14)20(3)11-19/h4-9H,10-11H2,1-3H3
InChIKeyGZYQGCVTBBFBPH-UHFFFAOYSA-N
XLogP2.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione?
The IUPAC name of 2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione (CID 666313) is 2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione.
What is the SMILES notation for 2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione?
The canonical SMILES for 2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione is CN1CC2(Cc3c1ccc1ccccc31)C(=O)OC(C)(C)OC2=O.
What is the InChIKey of 2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione?
The InChIKey is GZYQGCVTBBFBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-18(2)23-16(21)19(17(22)24-18)10-14-13-7-5-4-6-12(13)8-9-15(14)20(3)11-19/h4-9H,10-11H2,1-3H3.
What are the key properties of 2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione?
2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione has a molecular weight of 325.36 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2',4-trimethylspiro[1,3-dihydrobenzo[f]quinoline-2,5'-1,3-dioxane]-4',6'-dione is sourced from PubChem (CID 666313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).