ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate

C15H14BrFN2O3 — CID 162364102

IUPACethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate
SMILESCCOC(=O)Cn1nc(Br)c2cc(C3(F)CC3)ccc2c1=O
InChIInChI=1S/C15H14BrFN2O3/c1-2-22-12(20)8-19-14(21)10-4-3-9(15(17)5-6-15)7-11(10)13(16)18-19/h3-4,7H,2,5-6,8H2,1H3
InChIKeyFSUBSKVMJSVKQV-UHFFFAOYSA-N
MW369.19 g/mol
LogP2.68
Rot. Bonds4

About ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate

ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate (PubChem CID 162364102) has the molecular formula C15H14BrFN2O3 and a molecular weight of 369.19 g/mol. Its IUPAC name is ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate
PubChem CID162364102
Molecular FormulaC15H14BrFN2O3
Molecular Weight369.19 g/mol
Exact Mass368.02
IUPAC Nameethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate
SMILESCCOC(=O)Cn1nc(Br)c2cc(C3(F)CC3)ccc2c1=O
InChIInChI=1S/C15H14BrFN2O3/c1-2-22-12(20)8-19-14(21)10-4-3-9(15(17)5-6-15)7-11(10)13(16)18-19/h3-4,7H,2,5-6,8H2,1H3
InChIKeyFSUBSKVMJSVKQV-UHFFFAOYSA-N
XLogP2.68
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[6-bromo-1-oxo-4-(3,3,3-trifluoroprop-1-en-2-yl)phthalazin-2-yl]acetate
CID 162732013
ethyl 2-(6-cyclopropyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetate
CID 162363975
ethyl 2-[4-butan-2-yl-1-oxo-6-(trifluoromethyl)phthalazin-2-yl]acetate
CID 162363988
ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-1-oxophthalazin-2-yl]acetate
CID 75123935
ethyl 2-[4-(1-methoxyethyl)-1-oxo-6-(trifluoromethyl)phthalazin-2-yl]acetate
CID 162364127
ethyl 2-[4-(2-methylphenyl)-1-oxophthalazin-2-yl]acetate
CID 110193707
ethyl 2-[7-chloro-4-(dimethylamino)-1-oxophthalazin-2-yl]acetate
CID 171770484
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
ethyl 2-[2-(1,1-difluoroethyl)-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl]acetate
CID 166454588
ethyl 2-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 68745175
ethyl 2-(6-amino-3-chloroindazol-1-yl)acetate
CID 19086725
ethyl 2-(14-methyl-5-oxo-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,6,12,14-pentaen-4-yl)acetate
CID 10990601

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate?
The IUPAC name of ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate (CID 162364102) is ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate?
The canonical SMILES for ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate is CCOC(=O)Cn1nc(Br)c2cc(C3(F)CC3)ccc2c1=O.
What is the InChIKey of ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate?
The InChIKey is FSUBSKVMJSVKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3/c1-2-22-12(20)8-19-14(21)10-4-3-9(15(17)5-6-15)7-11(10)13(16)18-19/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate?
ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate has a molecular weight of 369.19 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-bromo-6-(1-fluorocyclopropyl)-1-oxophthalazin-2-yl]acetate is sourced from PubChem (CID 162364102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).