2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide

C18H18N4O2 — CID 1394690

IUPAC2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCNC(=O)c1cc(Nc2nnc(C)c3ccccc23)ccc1OC
InChIInChI=1S/C18H18N4O2/c1-11-13-6-4-5-7-14(13)17(22-21-11)20-12-8-9-16(24-3)15(10-12)18(23)19-2/h4-10H,1-3H3,(H,19,23)(H,20,22)
InChIKeyAXLNTPGIUXMAQW-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.05
Rot. Bonds4

About 2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide

2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide (PubChem CID 1394690) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide
PubChem CID1394690
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCNC(=O)c1cc(Nc2nnc(C)c3ccccc23)ccc1OC
InChIInChI=1S/C18H18N4O2/c1-11-13-6-4-5-7-14(13)17(22-21-11)20-12-8-9-16(24-3)15(10-12)18(23)19-2/h4-10H,1-3H3,(H,19,23)(H,20,22)
InChIKeyAXLNTPGIUXMAQW-UHFFFAOYSA-N
XLogP3.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-(4-(Chlorodifluoromethoxy)phenylamino)phthalazin-1-yl)benzamide
CID 5187941
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
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
(2-Methoxy-5-((4-phenylphthalazin-1-yl)amino)phenyl)(piperidin-1-yl)methanone
CID 6413332
5-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}-2-methoxy-N-methylbenzamide
CID 1384560
N-(2-hydroxyethyl)-4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide
CID 2888589

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide?
The IUPAC name of 2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide (CID 1394690) is 2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide.
What is the SMILES notation for 2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide?
The canonical SMILES for 2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide is CNC(=O)c1cc(Nc2nnc(C)c3ccccc23)ccc1OC.
What is the InChIKey of 2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide?
The InChIKey is AXLNTPGIUXMAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-13-6-4-5-7-14(13)17(22-21-11)20-12-8-9-16(24-3)15(10-12)18(23)19-2/h4-10H,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide?
2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide has a molecular weight of 322.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide is sourced from PubChem (CID 1394690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).