1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one

C17H14F2N2O3 — CID 175776316

IUPAC1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one
SMILESCCOc1ccc2ccc(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C17H14F2N2O3/c1-2-23-14-9-3-11-4-10-15(22)21(16(11)20-14)12-5-7-13(8-6-12)24-17(18)19/h3-10,17H,2H2,1H3
InChIKeyOKPLXSSANXRREJ-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.39
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one

1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one (PubChem CID 175776316) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one
PubChem CID175776316
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one
SMILESCCOc1ccc2ccc(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C17H14F2N2O3/c1-2-23-14-9-3-11-4-10-15(22)21(16(11)20-14)12-5-7-13(8-6-12)24-17(18)19/h3-10,17H,2H2,1H3
InChIKeyOKPLXSSANXRREJ-UHFFFAOYSA-N
XLogP3.39
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one
CID 171431871
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one
CID 171431864
8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one
CID 175835407
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-3-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,8-naphthyridin-2-one
CID 155732401
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-[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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one (CID 175776316) is 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one is CCOc1ccc2ccc(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one?
The InChIKey is OKPLXSSANXRREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-2-23-14-9-3-11-4-10-15(22)21(16(11)20-14)12-5-7-13(8-6-12)24-17(18)19/h3-10,17H,2H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one?
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one has a molecular weight of 332.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 175776316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).