4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide

C19H19N3O2 — CID 3155239

IUPAC4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-3-12-20-18(23)14-10-8-13(9-11-14)17-15-6-4-5-7-16(15)19(24)22(2)21-17/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKeyHXQVSKFLYOKLNI-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.74
Rot. Bonds4

About 4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide

4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide (PubChem CID 3155239) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide.

Molecular Properties

Compound Name4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide
PubChem CID3155239
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O2/c1-3-12-20-18(23)14-10-8-13(9-11-14)17-15-6-4-5-7-16(15)19(24)22(2)21-17/h4-11H,3,12H2,1-2H3,(H,20,23)
InChIKeyHXQVSKFLYOKLNI-UHFFFAOYSA-N
XLogP2.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide?
The IUPAC name of 4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide (CID 3155239) is 4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide.
What is the SMILES notation for 4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide?
The canonical SMILES for 4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide is CCCNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide?
The InChIKey is HXQVSKFLYOKLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-12-20-18(23)14-10-8-13(9-11-14)17-15-6-4-5-7-16(15)19(24)22(2)21-17/h4-11H,3,12H2,1-2H3,(H,20,23).
What are the key properties of 4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide?
4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-oxophthalazin-1-yl)-N-propylbenzamide is sourced from PubChem (CID 3155239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).