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

C26H24N4O4 — CID 5155222

IUPACN-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C26H24N4O4/c1-3-17-8-10-18(11-9-17)28-23(31)16-27-25(32)24-21-6-4-5-7-22(21)26(33)30(29-24)19-12-14-20(34-2)15-13-19/h4-15H,3,16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyOROPKAKMJIEYME-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.33
Rot. Bonds7

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

N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 5155222) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID5155222
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC NameN-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
SMILESCCc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C26H24N4O4/c1-3-17-8-10-18(11-9-17)28-23(31)16-27-25(32)24-21-6-4-5-7-22(21)26(33)30(29-24)19-12-14-20(34-2)15-13-19/h4-15H,3,16H2,1-2H3,(H,27,32)(H,28,31)
InChIKeyOROPKAKMJIEYME-UHFFFAOYSA-N
XLogP3.33
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide (CID 5155222) is N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is CCc1ccc(NC(=O)CNC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is OROPKAKMJIEYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-3-17-8-10-18(11-9-17)28-23(31)16-27-25(32)24-21-6-4-5-7-22(21)26(33)30(29-24)19-12-14-20(34-2)15-13-19/h4-15H,3,16H2,1-2H3,(H,27,32)(H,28,31).
What are the key properties of N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide?
N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 5155222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).