(2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide

C50H49F3N8O10 — CID 158757582

About (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide

(2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide (PubChem CID 158757582) has the molecular formula C50H49F3N8O10 and a molecular weight of 978.98 g/mol. Its IUPAC name is (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide.

Molecular Properties

• Compound Name: (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide
• PubChem CID: 158757582
• Molecular Formula: C50H49F3N8O10
• Molecular Weight: 978.98 g/mol
• Exact Mass: 978.35
• IUPAC Name: (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide
• SMILES: C[C@@H]1CN2c3c(F)cc(C(=O)NCc4ccc(F)cc4)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.C[C@@H]1CN2c3ccc(C(=O)NCc4ccc(F)cc4)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1
• InChI: InChI=1S/C25H24F2N4O5.C25H25FN4O5/c1-12-11-31-19-16(9-25(20(31)13(2)36-12)22(33)29-24(35)30-23(25)34)7-15(8-18(19)27)21(32)28-10-14-3-5-17(26)6-4-14;1-13-12-30-19-8-5-16(21(31)27-11-15-3-6-18(26)7-4-15)9-17(19)10-25(20(30)14(2)35-13)22(32)28-24(34)29-23(25)33/h3-8,12-13,20H,9-11H2,1-2H3,(H,28,32)(H2,29,30,33,34,35);3-9,13-14,20H,10-12H2,1-2H3,(H,27,31)(H2,28,29,32,33,34)/t12-,13+,20-;13-,14+,20-/m11/s1
• InChIKey: IOGMGTRTXPFRDM-ICOZSFEPSA-N
• XLogP: 3.43
• TPSA: 233.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	978.98
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide?

The IUPAC name of (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide (CID 158757582) is (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide.

What is the SMILES notation for (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide?

The canonical SMILES for (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide is C[C@@H]1CN2c3c(F)cc(C(=O)NCc4ccc(F)cc4)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.C[C@@H]1CN2c3ccc(C(=O)NCc4ccc(F)cc4)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@H](C)O1.

What is the InChIKey of (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide?

The InChIKey is IOGMGTRTXPFRDM-ICOZSFEPSA-N. The full InChI is InChI=1S/C25H24F2N4O5.C25H25FN4O5/c1-12-11-31-19-16(9-25(20(31)13(2)36-12)22(33)29-24(35)30-23(25)34)7-15(8-18(19)27)21(32)28-10-14-3-5-17(26)6-4-14;1-13-12-30-19-8-5-16(21(31)27-11-15-3-6-18(26)7-4-15)9-17(19)10-25(20(30)14(2)35-13)22(32)28-24(34)29-23(25)33/h3-8,12-13,20H,9-11H2,1-2H3,(H,28,32)(H2,29,30,33,34,35);3-9,13-14,20H,10-12H2,1-2H3,(H,27,31)(H2,28,29,32,33,34)/t12-,13+,20-;13-,14+,20-/m11/s1.

What are the key properties of (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide?

(2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide has a molecular weight of 978.98 g/mol, XLogP of 3.43, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2'R,4'S,4'aS)-10'-fluoro-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide;(2'R,4'S,4'aS)-N-[(4-fluorophenyl)methyl]-2',4'-dimethyl-2,4,6-trioxospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-8'-carboxamide is sourced from PubChem (CID 158757582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).