N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide

C18H17N3O3 — CID 2591019

IUPACN-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O3/c1-3-24-15-11-7-6-10-14(15)19-17(22)16-12-8-4-5-9-13(12)18(23)21(2)20-16/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyNNQHTNKTSYPLPM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.58
Rot. Bonds4

About N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide

N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 2591019) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID2591019
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O3/c1-3-24-15-11-7-6-10-14(15)19-17(22)16-12-8-4-5-9-13(12)18(23)21(2)20-16/h4-11H,3H2,1-2H3,(H,19,22)
InChIKeyNNQHTNKTSYPLPM-UHFFFAOYSA-N
XLogP2.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide (CID 2591019) is N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide is CCOc1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is NNQHTNKTSYPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-15-11-7-6-10-14(15)19-17(22)16-12-8-4-5-9-13(12)18(23)21(2)20-16/h4-11H,3H2,1-2H3,(H,19,22).
What are the key properties of N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide?
N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 2591019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).