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

C23H19F2N3O4 — CID 155347806

IUPAC1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(-c3ccc(=O)n(C)c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C23H19F2N3O4/c1-3-31-19-10-4-14-12-18(15-5-11-20(29)27(2)13-15)22(30)28(21(14)26-19)16-6-8-17(9-7-16)32-23(24)25/h4-13,23H,3H2,1-2H3
InChIKeyFHMIKRRLJLLMPL-UHFFFAOYSA-N
MW439.42 g/mol
LogP3.75
Rot. Bonds6

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

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one (PubChem CID 155347806) has the molecular formula C23H19F2N3O4 and a molecular weight of 439.42 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
PubChem CID155347806
Molecular FormulaC23H19F2N3O4
Molecular Weight439.42 g/mol
Exact Mass439.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
SMILESCCOc1ccc2cc(-c3ccc(=O)n(C)c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C23H19F2N3O4/c1-3-31-19-10-4-14-12-18(15-5-11-20(29)27(2)13-15)22(30)28(21(14)26-19)16-6-8-17(9-7-16)32-23(24)25/h4-13,23H,3H2,1-2H3
InChIKeyFHMIKRRLJLLMPL-UHFFFAOYSA-N
XLogP3.75
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 53.75
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-ethyl-6-imino-3-pyridinyl)-1,8-naphthyridin-2-one
CID 162620056
1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347871
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one
CID 175776316
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-[6-(oxolan-3-ylmethoxy)-3-pyridinyl]-1,8-naphthyridin-2-one
CID 156805271
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-3-[6-(3H-furan-2-ylidene)-1H-pyridin-3-yl]-1,8-naphthyridin-2-one
CID 175776313
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
7-ethoxy-3-(2-methylindazol-5-yl)-1-(4-methylphenyl)-1,8-naphthyridin-2-one
CID 164841224
2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253596

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one (CID 155347806) is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one is CCOc1ccc2cc(-c3ccc(=O)n(C)c3)c(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one?
The InChIKey is FHMIKRRLJLLMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O4/c1-3-31-19-10-4-14-12-18(15-5-11-20(29)27(2)13-15)22(30)28(21(14)26-19)16-6-8-17(9-7-16)32-23(24)25/h4-13,23H,3H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one?
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one has a molecular weight of 439.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 155347806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).