3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione

C15H15BrN4O3 — CID 25204486

IUPAC3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione
SMILESO=C1NC(=O)C2(Cc3cc(Br)cnc3N3CCCCC32)C(=O)N1
InChIInChI=1S/C15H15BrN4O3/c16-9-5-8-6-15(12(21)18-14(23)19-13(15)22)10-3-1-2-4-20(10)11(8)17-7-9/h5,7,10H,1-4,6H2,(H2,18,19,21,22,23)
InChIKeyNSBZXHPYZFSMNO-UHFFFAOYSA-N
MW379.21 g/mol
LogP1.11
Rot. Bonds

About 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione

3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione (PubChem CID 25204486) has the molecular formula C15H15BrN4O3 and a molecular weight of 379.21 g/mol. Its IUPAC name is 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione.

Molecular Properties

Compound Name3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione
PubChem CID25204486
Molecular FormulaC15H15BrN4O3
Molecular Weight379.21 g/mol
Exact Mass378.03
IUPAC Name3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione
SMILESO=C1NC(=O)C2(Cc3cc(Br)cnc3N3CCCCC32)C(=O)N1
InChIInChI=1S/C15H15BrN4O3/c16-9-5-8-6-15(12(21)18-14(23)19-13(15)22)10-3-1-2-4-20(10)11(8)17-7-9/h5,7,10H,1-4,6H2,(H2,18,19,21,22,23)
InChIKeyNSBZXHPYZFSMNO-UHFFFAOYSA-N
XLogP1.11
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione?
The IUPAC name of 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione (CID 25204486) is 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione.
What is the SMILES notation for 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione?
The canonical SMILES for 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione is O=C1NC(=O)C2(Cc3cc(Br)cnc3N3CCCCC32)C(=O)N1.
What is the InChIKey of 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione?
The InChIKey is NSBZXHPYZFSMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O3/c16-9-5-8-6-15(12(21)18-14(23)19-13(15)22)10-3-1-2-4-20(10)11(8)17-7-9/h5,7,10H,1-4,6H2,(H2,18,19,21,22,23).
What are the key properties of 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione?
3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione has a molecular weight of 379.21 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-bromospiro[1,3-diazinane-5,6'-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine]-2,4,6-trione is sourced from PubChem (CID 25204486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).