N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide

C19H17N3O4 — CID 71709074

IUPACN-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H17N3O4/c1-22-19(25)15-6-4-3-5-14(15)17(21-22)18(24)20-11-16(23)12-7-9-13(26-2)10-8-12/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyUEPFNXGOCJUETE-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.55
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 71709074) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID71709074
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H17N3O4/c1-22-19(25)15-6-4-3-5-14(15)17(21-22)18(24)20-11-16(23)12-7-9-13(26-2)10-8-12/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyUEPFNXGOCJUETE-UHFFFAOYSA-N
XLogP1.55
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 18110420
N-[(4-methoxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 4848627
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7930117
3-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]phthalazine-1-carboxamide
CID 9163172
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8795909
N-(4-methoxyphenyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
CID 1087197
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309
3-(4-methoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylethyl)phthalazine-1-carboxamide
CID 20970842
methyl 2-[[3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carbonyl]amino]acetate
CID 4249551
N-(2-indol-1-ylethyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 71705958

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 71709074) is N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide is COc1ccc(C(=O)CNC(=O)c2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is UEPFNXGOCJUETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-22-19(25)15-6-4-3-5-14(15)17(21-22)18(24)20-11-16(23)12-7-9-13(26-2)10-8-12/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 71709074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).