1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one

C27H25F2N3O5 — CID 156805271

About 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one (PubChem CID 156805271) has the molecular formula C27H25F2N3O5 and a molecular weight of 509.51 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one
• PubChem CID: 156805271
• Molecular Formula: C27H25F2N3O5
• Molecular Weight: 509.51 g/mol
• Exact Mass: 509.18
• IUPAC Name: 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one
• SMILES: CCOc1ccc2cc(-c3ccc(OCC4CCOC4)nc3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
• InChI: InChI=1S/C27H25F2N3O5/c1-2-35-24-10-3-18-13-22(19-4-9-23(30-14-19)36-16-17-11-12-34-15-17)26(33)32(25(18)31-24)20-5-7-21(8-6-20)37-27(28)29/h3-10,13-14,17,27H,2,11-12,15-16H2,1H3
• InChIKey: QHSMJUXIMGNDBY-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 84.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.51
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one?

The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one (CID 156805271) is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one.

What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one?

The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one is CCOc1ccc2cc(-c3ccc(OCC4CCOC4)nc3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.

What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one?

The InChIKey is QHSMJUXIMGNDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O5/c1-2-35-24-10-3-18-13-22(19-4-9-23(30-14-19)36-16-17-11-12-34-15-17)26(33)32(25(18)31-24)20-5-7-21(8-6-20)37-27(28)29/h3-10,13-14,17,27H,2,11-12,15-16H2,1H3.

What are the key properties of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one?

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one has a molecular weight of 509.51 g/mol, XLogP of 4.86, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 156805271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).