2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide

C24H20N4O4 — CID 1292688

IUPAC2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1C(N)=O
InChIInChI=1S/C24H20N4O4/c1-28-24(31)18-6-4-3-5-17(18)21(27-28)14-7-9-15(10-8-14)23(30)26-16-11-12-20(32-2)19(13-16)22(25)29/h3-13H,1-2H3,(H2,25,29)(H,26,30)
InChIKeyNVSLDLNDYLUYNX-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.96
Rot. Bonds5

About 2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide

2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide (PubChem CID 1292688) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide
PubChem CID1292688
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1C(N)=O
InChIInChI=1S/C24H20N4O4/c1-28-24(31)18-6-4-3-5-17(18)21(27-28)14-7-9-15(10-8-14)23(30)26-16-11-12-20(32-2)19(13-16)22(25)29/h3-13H,1-2H3,(H2,25,29)(H,26,30)
InChIKeyNVSLDLNDYLUYNX-UHFFFAOYSA-N
XLogP2.96
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide?
The IUPAC name of 2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide (CID 1292688) is 2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide?
The canonical SMILES for 2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(-c3nn(C)c(=O)c4ccccc34)cc2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide?
The InChIKey is NVSLDLNDYLUYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-28-24(31)18-6-4-3-5-17(18)21(27-28)14-7-9-15(10-8-14)23(30)26-16-11-12-20(32-2)19(13-16)22(25)29/h3-13H,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of 2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide?
2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide has a molecular weight of 428.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 1292688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).