2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide

C23H20N4O3 — CID 1419332

IUPAC2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide
SMILESCOc1ccc(-c2nnc(Nc3ccc(OC)c(C(N)=O)c3)c3ccccc23)cc1
InChIInChI=1S/C23H20N4O3/c1-29-16-10-7-14(8-11-16)21-17-5-3-4-6-18(17)23(27-26-21)25-15-9-12-20(30-2)19(13-15)22(24)28/h3-13H,1-2H3,(H2,24,28)(H,25,27)
InChIKeyJIGXROMBPCYPLH-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.16
Rot. Bonds6

About 2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide

2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide (PubChem CID 1419332) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide
PubChem CID1419332
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide
SMILESCOc1ccc(-c2nnc(Nc3ccc(OC)c(C(N)=O)c3)c3ccccc23)cc1
InChIInChI=1S/C23H20N4O3/c1-29-16-10-7-14(8-11-16)21-17-5-3-4-6-18(17)23(27-26-21)25-15-9-12-20(30-2)19(13-15)22(24)28/h3-13H,1-2H3,(H2,24,28)(H,25,27)
InChIKeyJIGXROMBPCYPLH-UHFFFAOYSA-N
XLogP4.16
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-(4-(Chlorodifluoromethoxy)phenylamino)phthalazin-1-yl)benzamide
CID 5187941
2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide
CID 1394690
2-methoxy-N-methyl-5-{[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino}benzamide
CID 1417677
Methyl 4-[4-({4-[chloro(difluoro)methoxy]phenyl}amino)phthalazin-1-yl]benzoate
CID 5292029
5-({4-[3-(cyclohexylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)-2-methoxy-N-methylbenzamide
CID 6412329
4-{4-[(4-Methoxyphenyl)amino]phthalazin-1-yl}benzamide
CID 1391316
4-(4-((4-Methoxyphenyl)amino)phthalazin-1-yl)phenol
CID 1394168
4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
CID 5494639
1-{3-[6-(2-Methoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-ethanone
CID 644406
5-((4-(4-Hydroxyphenyl)phthalazin-1-yl)amino)-2-methoxybenzamide
CID 1384343
4-(4-methoxyphenyl)-N-[4-methoxy-3-(1-piperidinylcarbonyl)phenyl]-1-phthalazinamine
CID 6403605
[2-Methoxy-5-[[4-(4-methylphenyl)-1-phthalazinyl]amino]phenyl]-(1-piperidinyl)methanone
CID 6407317

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide?
The IUPAC name of 2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide (CID 1419332) is 2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide.
What is the SMILES notation for 2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide?
The canonical SMILES for 2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide is COc1ccc(-c2nnc(Nc3ccc(OC)c(C(N)=O)c3)c3ccccc23)cc1.
What is the InChIKey of 2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide?
The InChIKey is JIGXROMBPCYPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-29-16-10-7-14(8-11-16)21-17-5-3-4-6-18(17)23(27-26-21)25-15-9-12-20(30-2)19(13-15)22(24)28/h3-13H,1-2H3,(H2,24,28)(H,25,27).
What are the key properties of 2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide?
2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide has a molecular weight of 400.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzamide is sourced from PubChem (CID 1419332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).