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

C19H23N3O4 — CID 666393

IUPAC1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
SMILESCCCCN1C(=O)NC(=O)C2(Cc3ccccc3N3CCOCC32)C1=O
InChIInChI=1S/C19H23N3O4/c1-2-3-8-22-17(24)19(16(23)20-18(22)25)11-13-6-4-5-7-14(13)21-9-10-26-12-15(19)21/h4-7,15H,2-3,8-12H2,1H3,(H,20,23,25)
InChIKeyUQOOJIZRRMHMDH-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.31
Rot. Bonds3

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

1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione (PubChem CID 666393) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione.

Molecular Properties

Compound Name1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
PubChem CID666393
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
SMILESCCCCN1C(=O)NC(=O)C2(Cc3ccccc3N3CCOCC32)C1=O
InChIInChI=1S/C19H23N3O4/c1-2-3-8-22-17(24)19(16(23)20-18(22)25)11-13-6-4-5-7-14(13)21-9-10-26-12-15(19)21/h4-7,15H,2-3,8-12H2,1H3,(H,20,23,25)
InChIKeyUQOOJIZRRMHMDH-UHFFFAOYSA-N
XLogP1.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
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 1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione?
The IUPAC name of 1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione (CID 666393) is 1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione.
What is the SMILES notation for 1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione?
The canonical SMILES for 1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione is CCCCN1C(=O)NC(=O)C2(Cc3ccccc3N3CCOCC32)C1=O.
What is the InChIKey of 1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione?
The InChIKey is UQOOJIZRRMHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-2-3-8-22-17(24)19(16(23)20-18(22)25)11-13-6-4-5-7-14(13)21-9-10-26-12-15(19)21/h4-7,15H,2-3,8-12H2,1H3,(H,20,23,25).
What are the key properties of 1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione?
1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione has a molecular weight of 357.41 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione is sourced from PubChem (CID 666393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).