N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide

C24H22N4O3 — CID 2888589

IUPACN-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide
SMILESCOc1ccc(Nc2nnc(-c3ccc(C(=O)NCCO)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N4O3/c1-31-19-12-10-18(11-13-19)26-23-21-5-3-2-4-20(21)22(27-28-23)16-6-8-17(9-7-16)24(30)25-14-15-29/h2-13,29H,14-15H2,1H3,(H,25,30)(H,26,28)
InChIKeyHAYWTHZAXDGFJF-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.77
Rot. Bonds7

About N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide

N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide (PubChem CID 2888589) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide
PubChem CID2888589
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide
SMILESCOc1ccc(Nc2nnc(-c3ccc(C(=O)NCCO)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N4O3/c1-31-19-12-10-18(11-13-19)26-23-21-5-3-2-4-20(21)22(27-28-23)16-6-8-17(9-7-16)24(30)25-14-15-29/h2-13,29H,14-15H2,1H3,(H,25,30)(H,26,28)
InChIKeyHAYWTHZAXDGFJF-UHFFFAOYSA-N
XLogP3.77
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide (CID 2888589) is N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide is COc1ccc(Nc2nnc(-c3ccc(C(=O)NCCO)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide?
The InChIKey is HAYWTHZAXDGFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-31-19-12-10-18(11-13-19)26-23-21-5-3-2-4-20(21)22(27-28-23)16-6-8-17(9-7-16)24(30)25-14-15-29/h2-13,29H,14-15H2,1H3,(H,25,30)(H,26,28).
What are the key properties of N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide?
N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide has a molecular weight of 414.47 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide is sourced from PubChem (CID 2888589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).