8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one

C15H12F2N4O3 — CID 175835407

IUPAC8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one
SMILESCCOc1ncc2ncc(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C15H12F2N4O3/c1-2-23-15-19-7-11-13(20-15)21(12(22)8-18-11)9-3-5-10(6-4-9)24-14(16)17/h3-8,14H,2H2,1H3
InChIKeyAGJMAPZTRWWYIF-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.18
Rot. Bonds5

About 8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one

8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one (PubChem CID 175835407) has the molecular formula C15H12F2N4O3 and a molecular weight of 334.28 g/mol. Its IUPAC name is 8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one.

Molecular Properties

Compound Name8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one
PubChem CID175835407
Molecular FormulaC15H12F2N4O3
Molecular Weight334.28 g/mol
Exact Mass334.09
IUPAC Name8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one
SMILESCCOc1ncc2ncc(=O)n(-c3ccc(OC(F)F)cc3)c2n1
InChIInChI=1S/C15H12F2N4O3/c1-2-23-15-19-7-11-13(20-15)21(12(22)8-18-11)9-3-5-10(6-4-9)24-14(16)17/h3-8,14H,2H2,1H3
InChIKeyAGJMAPZTRWWYIF-UHFFFAOYSA-N
XLogP2.18
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(cyclopropylamino)-8-[4-(difluoromethoxy)phenyl]pteridin-7-one
CID 165391315
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one
CID 175776316
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-(methoxymethyl)-3-methylbenzimidazol-5-yl]pteridin-7-one
CID 167273113
2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one
CID 3233184
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[3-methyl-2-[(1-methylcyclopropyl)methoxymethyl]benzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
CID 156805197
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one
CID 171431864
6-bromo-4-[4-(difluoromethoxy)phenyl]-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253611
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-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
8-[4-(difluoromethoxy)phenyl]-2-ethoxy-6-[2-[[1-(3-fluoropropyl)azetidin-3-yl]oxymethyl]-3-methylbenzimidazol-5-yl]pyrido[2,3-d]pyrimidin-7-one
CID 166647843
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one
CID 171431871
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 155347806

Frequently Asked Questions

What is the IUPAC name of 8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one?
The IUPAC name of 8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one (CID 175835407) is 8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one.
What is the SMILES notation for 8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one?
The canonical SMILES for 8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one is CCOc1ncc2ncc(=O)n(-c3ccc(OC(F)F)cc3)c2n1.
What is the InChIKey of 8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one?
The InChIKey is AGJMAPZTRWWYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O3/c1-2-23-15-19-7-11-13(20-15)21(12(22)8-18-11)9-3-5-10(6-4-9)24-14(16)17/h3-8,14H,2H2,1H3.
What are the key properties of 8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one?
8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one has a molecular weight of 334.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(difluoromethoxy)phenyl]-2-ethoxypteridin-7-one is sourced from PubChem (CID 175835407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).