6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C24H24N6O6 — CID 137459984

About 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 137459984) has the molecular formula C24H24N6O6 and a molecular weight of 492.49 g/mol. Its IUPAC name is 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 137459984
• Molecular Formula: C24H24N6O6
• Molecular Weight: 492.49 g/mol
• Exact Mass: 492.18
• IUPAC Name: 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: COc1cnc2ccc(=O)n(CCN3CC[C@H]4[C@@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1
• InChI: InChI=1S/C24H24N6O6/c1-34-14-10-17-15(25-11-14)2-5-22(32)29(17)9-8-28-7-6-16-19(12-28)36-24(33)30(16)20-4-3-18-23(26-20)27-21(31)13-35-18/h2-5,10-11,16,19H,6-9,12-13H2,1H3,(H,26,27,31)/t16-,19+/m0/s1
• InChIKey: JKSHCWOTRMMQLF-QFBILLFUSA-N
• XLogP: 1.23
• TPSA: 128.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.49
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 137459984) is 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1cnc2ccc(=O)n(CCN3CC[C@H]4[C@@H](C3)OC(=O)N4c3ccc4c(n3)NC(=O)CO4)c2c1.

What is the InChIKey of 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is JKSHCWOTRMMQLF-QFBILLFUSA-N. The full InChI is InChI=1S/C24H24N6O6/c1-34-14-10-17-15(25-11-14)2-5-22(32)29(17)9-8-28-7-6-16-19(12-28)36-24(33)30(16)20-4-3-18-23(26-20)27-21(31)13-35-18/h2-5,10-11,16,19H,6-9,12-13H2,1H3,(H,26,27,31)/t16-,19+/m0/s1.

What are the key properties of 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 492.49 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3aR,7aS)-5-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-[1,3]oxazolo[5,4-c]pyridin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 137459984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).