N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

C19H19N3O3 — CID 3155241

IUPACN-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCC(O)CNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-12(23)11-20-18(24)14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)19(25)22(2)21-17/h3-10,12,23H,11H2,1-2H3,(H,20,24)
InChIKeyZMMYBNHDNYVBMZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.71
Rot. Bonds4

About N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide

N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (PubChem CID 3155241) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
PubChem CID3155241
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide
SMILESCC(O)CNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-12(23)11-20-18(24)14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)19(25)22(2)21-17/h3-10,12,23H,11H2,1-2H3,(H,20,24)
InChIKeyZMMYBNHDNYVBMZ-UHFFFAOYSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide (CID 3155241) is N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is CC(O)CNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
The InChIKey is ZMMYBNHDNYVBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(23)11-20-18(24)14-9-7-13(8-10-14)17-15-5-3-4-6-16(15)19(25)22(2)21-17/h3-10,12,23H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide?
N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-4-(3-methyl-4-oxophthalazin-1-yl)benzamide is sourced from PubChem (CID 3155241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).