3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione

C15H16N4O5 — CID 142158060

IUPAC3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione
SMILESNc1noc(=O)ccc(=O)on1-c1ccccc1N1CCOCC1
InChIInChI=1S/C15H16N4O5/c16-15-17-23-13(20)5-6-14(21)24-19(15)12-4-2-1-3-11(12)18-7-9-22-10-8-18/h1-6H,7-10H2,(H2,16,17)/b6-5-
InChIKeyMJBNSNQBJCKADN-WAYWQWQTSA-N
MW332.32 g/mol
LogP0.32
Rot. Bonds2

About 3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione

3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione (PubChem CID 142158060) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione.

Molecular Properties

Compound Name3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione
PubChem CID142158060
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione
SMILESNc1noc(=O)ccc(=O)on1-c1ccccc1N1CCOCC1
InChIInChI=1S/C15H16N4O5/c16-15-17-23-13(20)5-6-14(21)24-19(15)12-4-2-1-3-11(12)18-7-9-22-10-8-18/h1-6H,7-10H2,(H2,16,17)/b6-5-
InChIKeyMJBNSNQBJCKADN-WAYWQWQTSA-N
XLogP0.32
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione?
The IUPAC name of 3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione (CID 142158060) is 3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione.
What is the SMILES notation for 3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione?
The canonical SMILES for 3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione is Nc1noc(=O)ccc(=O)on1-c1ccccc1N1CCOCC1.
What is the InChIKey of 3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione?
The InChIKey is MJBNSNQBJCKADN-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H16N4O5/c16-15-17-23-13(20)5-6-14(21)24-19(15)12-4-2-1-3-11(12)18-7-9-22-10-8-18/h1-6H,7-10H2,(H2,16,17)/b6-5-.
What are the key properties of 3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione?
3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione has a molecular weight of 332.32 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-morpholin-4-ylphenyl)-1,5,2,4-dioxadiazonine-6,9-dione is sourced from PubChem (CID 142158060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).