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

C19H19N3O3 — CID 31526897

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-22-19(24)15-9-5-4-8-14(15)17(21-22)18(23)20-12-11-13-7-3-6-10-16(13)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQLUAQJSPTLNNBE-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.91
Rot. Bonds5

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

N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 31526897) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID31526897
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O3/c1-22-19(24)15-9-5-4-8-14(15)17(21-22)18(23)20-12-11-13-7-3-6-10-16(13)25-2/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQLUAQJSPTLNNBE-UHFFFAOYSA-N
XLogP1.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 2713287
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 18110420
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 18201559
N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 71709074
4-amino-1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 106259547
N-(3-hydroxy-4-methoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 7478751
N-[2-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261354
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
3-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]phthalazine-1-carboxamide
CID 9163172
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2591019
N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085401
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 31526897) is N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide is COc1ccccc1CCNC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is QLUAQJSPTLNNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22-19(24)15-9-5-4-8-14(15)17(21-22)18(23)20-12-11-13-7-3-6-10-16(13)25-2/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 31526897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).