3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide

C18H17N3O2 — CID 752678

IUPAC3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
SMILESCc1ccc(-c2nn(CCC(N)=O)c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-12-6-8-13(9-7-12)17-14-4-2-3-5-15(14)18(23)21(20-17)11-10-16(19)22/h2-9H,10-11H2,1H3,(H2,19,22)
InChIKeyFRZLJIPGWFTJKB-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.25
Rot. Bonds4

About 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide

3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide (PubChem CID 752678) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
PubChem CID752678
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide
SMILESCc1ccc(-c2nn(CCC(N)=O)c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-12-6-8-13(9-7-12)17-14-4-2-3-5-15(14)18(23)21(20-17)11-10-16(19)22/h2-9H,10-11H2,1H3,(H2,19,22)
InChIKeyFRZLJIPGWFTJKB-UHFFFAOYSA-N
XLogP2.25
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide 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 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide?
The IUPAC name of 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide (CID 752678) is 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide.
What is the SMILES notation for 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide?
The canonical SMILES for 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide is Cc1ccc(-c2nn(CCC(N)=O)c(=O)c3ccccc23)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide?
The InChIKey is FRZLJIPGWFTJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-6-8-13(9-7-12)17-14-4-2-3-5-15(14)18(23)21(20-17)11-10-16(19)22/h2-9H,10-11H2,1H3,(H2,19,22).
What are the key properties of 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide?
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide has a molecular weight of 307.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propanamide is sourced from PubChem (CID 752678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).