6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

C33H34N6O7 — CID 130303486

About 6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one

6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 130303486) has the molecular formula C33H34N6O7 and a molecular weight of 626.67 g/mol. Its IUPAC name is 6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 130303486
• Molecular Formula: C33H34N6O7
• Molecular Weight: 626.67 g/mol
• Exact Mass: 626.25
• IUPAC Name: 6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: COc1ccc(CN2C(=O)COc3ccc(N4C(=O)OC5CC(NCCn6c(=O)ccc7ncc(OC)cc76)CCC54)nc32)cc1
• InChI: InChI=1S/C33H34N6O7/c1-43-22-6-3-20(4-7-22)18-38-31(41)19-45-27-10-11-29(36-32(27)38)39-25-9-5-21(15-28(25)46-33(39)42)34-13-14-37-26-16-23(44-2)17-35-24(26)8-12-30(37)40/h3-4,6-8,10-12,16-17,21,25,28,34H,5,9,13-15,18-19H2,1-2H3
• InChIKey: OVXVVASFGPYDHO-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 137.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.67
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one (CID 130303486) is 6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one.

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

The canonical SMILES for 6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc(CN2C(=O)COc3ccc(N4C(=O)OC5CC(NCCn6c(=O)ccc7ncc(OC)cc76)CCC54)nc32)cc1.

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

The InChIKey is OVXVVASFGPYDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O7/c1-43-22-6-3-20(4-7-22)18-38-31(41)19-45-27-10-11-29(36-32(27)38)39-25-9-5-21(15-28(25)46-33(39)42)34-13-14-37-26-16-23(44-2)17-35-24(26)8-12-30(37)40/h3-4,6-8,10-12,16-17,21,25,28,34H,5,9,13-15,18-19H2,1-2H3.

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

6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 626.67 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethylamino]-2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-3-yl]-4-[(4-methoxyphenyl)methyl]pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 130303486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).