6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C26H28N6O6 — CID 130303467

About 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 130303467) has the molecular formula C26H28N6O6 and a molecular weight of 520.55 g/mol. Its IUPAC name is 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 130303467
• Molecular Formula: C26H28N6O6
• Molecular Weight: 520.55 g/mol
• Exact Mass: 520.21
• IUPAC Name: 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: COc1cnc2ccc(=O)n(CCCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1
• InChI: InChI=1S/C26H28N6O6/c1-36-16-12-19-17(28-13-16)4-8-24(34)31(19)10-2-9-27-15-3-5-18-21(11-15)38-26(35)32(18)22-7-6-20-25(29-22)30-23(33)14-37-20/h4,6-8,12-13,15,18,21,27H,2-3,5,9-11,14H2,1H3,(H,29,30,33)/t15-,18-,21-/m0/s1
• InChIKey: PVCLTSIILIOCFZ-XERREHJYSA-N
• XLogP: 2.06
• TPSA: 136.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.55
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 130303467) is 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1cnc2ccc(=O)n(CCCN[C@H]3CC[C@H]4[C@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1.

What is the InChIKey of 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is PVCLTSIILIOCFZ-XERREHJYSA-N. The full InChI is InChI=1S/C26H28N6O6/c1-36-16-12-19-17(28-13-16)4-8-24(34)31(19)10-2-9-27-15-3-5-18-21(11-15)38-26(35)32(18)22-7-6-20-25(29-22)30-23(33)14-37-20/h4,6-8,12-13,15,18,21,27H,2-3,5,9-11,14H2,1H3,(H,29,30,33)/t15-,18-,21-/m0/s1.

What are the key properties of 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 520.55 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3aS,6S,7aS)-6-[3-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)propylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 130303467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).