ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate

C19H17FN2O3 — CID 12797344

IUPACethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate
SMILESCCOC(=O)c1c(C)cc2cnn(-c3ccccc3F)c(=O)c2c1C
InChIInChI=1S/C19H17FN2O3/c1-4-25-19(24)16-11(2)9-13-10-21-22(18(23)17(13)12(16)3)15-8-6-5-7-14(15)20/h5-10H,4H2,1-3H3
InChIKeyVCQYXIPMXQGUTD-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.32
Rot. Bonds3

About ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate

ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate (PubChem CID 12797344) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate
PubChem CID12797344
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Nameethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate
SMILESCCOC(=O)c1c(C)cc2cnn(-c3ccccc3F)c(=O)c2c1C
InChIInChI=1S/C19H17FN2O3/c1-4-25-19(24)16-11(2)9-13-10-21-22(18(23)17(13)12(16)3)15-8-6-5-7-14(15)20/h5-10H,4H2,1-3H3
InChIKeyVCQYXIPMXQGUTD-UHFFFAOYSA-N
XLogP3.32
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2-fluorophenyl)-2-[1-hydroxy-2-(methylamino)-2-oxoethyl]-5,7-dimethyl-4-oxoquinazoline-6-carboxylate
CID 70553150
ethyl 2,6,8-trimethyl-1-oxoisoquinoline-7-carboxylate
CID 10978168
sodium 3-ethoxycarbonyl-1-(2-fluorophenyl)pyrazole-5-thiolate
CID 68753550
ethyl 4-(2-fluorophenyl)-2-methyl-3,5-dioxo-1,2,4-triazine-6-carboxylate
CID 118655209
diethyl 5,7-dimethyl-3-(4-methylphenyl)-4-oxophthalazine-1,6-dicarboxylate
CID 12797359
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 5-[(3-carbamoylpiperidin-1-yl)methyl]-1-(2-fluorophenyl)pyrazole-4-carboxylate
CID 126467541
ethyl 3-(2-fluorophenyl)-5-[(2-methylbenzoyl)amino]-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 16818423
ethyl 5-[2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 3285343
ethyl 5-[(3,5-dimethylbenzoyl)amino]-3-(2-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 16818426
ethyl 1-(2-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carboxylate
CID 10810302
ethyl 5-[(2-ethoxyacetyl)amino]-3-(2-fluorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 16818417

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate?
The IUPAC name of ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate (CID 12797344) is ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate.
What is the SMILES notation for ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate?
The canonical SMILES for ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate is CCOC(=O)c1c(C)cc2cnn(-c3ccccc3F)c(=O)c2c1C.
What is the InChIKey of ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate?
The InChIKey is VCQYXIPMXQGUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-4-25-19(24)16-11(2)9-13-10-21-22(18(23)17(13)12(16)3)15-8-6-5-7-14(15)20/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate?
ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluorophenyl)-5,7-dimethyl-4-oxophthalazine-6-carboxylate is sourced from PubChem (CID 12797344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).