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

C23H19F2N3O4 — CID 155347871

IUPAC1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(-c3ccc(OC)cc3)c(=O)n(-c3ccc(OC(F)F)nc3)c2n1
InChIInChI=1S/C23H19F2N3O4/c1-3-31-20-10-6-15-12-18(14-4-8-17(30-2)9-5-14)22(29)28(21(15)27-20)16-7-11-19(26-13-16)32-23(24)25/h4-13,23H,3H2,1-2H3
InChIKeyOYAFYBQRGVNJJK-UHFFFAOYSA-N
MW439.42 g/mol
LogP4.46
Rot. Bonds7

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

1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one (PubChem CID 155347871) has the molecular formula C23H19F2N3O4 and a molecular weight of 439.42 g/mol. Its IUPAC name is 1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
PubChem CID155347871
Molecular FormulaC23H19F2N3O4
Molecular Weight439.42 g/mol
Exact Mass439.13
IUPAC Name1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(-c3ccc(OC)cc3)c(=O)n(-c3ccc(OC(F)F)nc3)c2n1
InChIInChI=1S/C23H19F2N3O4/c1-3-31-20-10-6-15-12-18(14-4-8-17(30-2)9-5-14)22(29)28(21(15)27-20)16-7-11-19(26-13-16)32-23(24)25/h4-13,23H,3H2,1-2H3
InChIKeyOYAFYBQRGVNJJK-UHFFFAOYSA-N
XLogP4.46
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one
CID 156805156
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 155347806
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one
CID 162620056
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one
CID 156805271
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,8-naphthyridin-2-one
CID 155732401
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[2-[2-(2-hydroxyethylamino)ethyl]-3-methylbenzimidazol-5-yl]-1,8-naphthyridin-2-one
CID 166647868
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one
CID 175776316
7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,8-naphthyridin-2-one
CID 155343702
7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-1,8-naphthyridin-2-one
CID 155343700
3-chloro-5-[4-(difluoromethoxy)phenyl]-7-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-one
CID 155343664
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-[3-methyl-2-[[methyl(oxetan-3-ylmethyl)amino]methyl]benzimidazol-5-yl]-1,8-naphthyridin-2-one
CID 156805153

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one (CID 155347871) is 1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one is CCOc1ccc2cc(-c3ccc(OC)cc3)c(=O)n(-c3ccc(OC(F)F)nc3)c2n1.
What is the InChIKey of 1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one?
The InChIKey is OYAFYBQRGVNJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4/c1-3-31-20-10-6-15-12-18(14-4-8-17(30-2)9-5-14)22(29)28(21(15)27-20)16-7-11-19(26-13-16)32-23(24)25/h4-13,23H,3H2,1-2H3.
What are the key properties of 1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one?
1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one has a molecular weight of 439.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 155347871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).