(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate

C19H17FN2O4 — CID 55375750

IUPAC(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
SMILESCOc1ccc(F)cc1COC(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H17FN2O4/c1-22-19(24)15-6-4-3-5-14(15)16(21-22)10-18(23)26-11-12-9-13(20)7-8-17(12)25-2/h3-9H,10-11H2,1-2H3
InChIKeyRIQCBVHYCHRDLS-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.37
Rot. Bonds5

About (5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate

(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate (PubChem CID 55375750) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
PubChem CID55375750
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
SMILESCOc1ccc(F)cc1COC(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H17FN2O4/c1-22-19(24)15-6-4-3-5-14(15)16(21-22)10-18(23)26-11-12-9-13(20)7-8-17(12)25-2/h3-9H,10-11H2,1-2H3
InChIKeyRIQCBVHYCHRDLS-UHFFFAOYSA-N
XLogP2.37
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 30367441
[3-(methoxymethyl)-1,2-oxazol-4-yl]methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 167857970
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
(5-fluoro-2-methoxyphenyl)methyl 3-aminopropanoate
CID 94260078
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8945124
N-[2-(3-fluorophenoxy)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55982859
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 26442487
N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 47113059
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8627574
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 34607272
4-(aminomethyl)-2-methylphthalazin-1-one
CID 589800

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate (CID 55375750) is (5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate is COc1ccc(F)cc1COC(=O)Cc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
The InChIKey is RIQCBVHYCHRDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-22-19(24)15-6-4-3-5-14(15)16(21-22)10-18(23)26-11-12-9-13(20)7-8-17(12)25-2/h3-9H,10-11H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate?
(5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate has a molecular weight of 356.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate is sourced from PubChem (CID 55375750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).