1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one

C22H17F2N3O4 — CID 156805156

IUPAC1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(-c3ccc(=O)[nH]c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C22H17F2N3O4/c1-2-30-19-10-4-13-11-17(14-3-9-18(28)25-12-14)21(29)27(20(13)26-19)15-5-7-16(8-6-15)31-22(23)24/h3-12,22H,2H2,1H3,(H,25,28)
InChIKeyPCPUBXUUAMSNPG-UHFFFAOYSA-N
MW425.39 g/mol
LogP3.74
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one (PubChem CID 156805156) has the molecular formula C22H17F2N3O4 and a molecular weight of 425.39 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one
PubChem CID156805156
Molecular FormulaC22H17F2N3O4
Molecular Weight425.39 g/mol
Exact Mass425.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(-c3ccc(=O)[nH]c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C22H17F2N3O4/c1-2-30-19-10-4-13-11-17(14-3-9-18(28)25-12-14)21(29)27(20(13)26-19)15-5-7-16(8-6-15)31-22(23)24/h3-12,22H,2H2,1H3,(H,25,28)
InChIKeyPCPUBXUUAMSNPG-UHFFFAOYSA-N
XLogP3.74
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one (CID 156805156) is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one is CCOc1ccc2cc(-c3ccc(=O)[nH]c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one?
The InChIKey is PCPUBXUUAMSNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O4/c1-2-30-19-10-4-13-11-17(14-3-9-18(28)25-12-14)21(29)27(20(13)26-19)15-5-7-16(8-6-15)31-22(23)24/h3-12,22H,2H2,1H3,(H,25,28).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one?
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one has a molecular weight of 425.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 156805156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).