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

C17H16N4O2 — CID 659452

IUPAC2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCOc1ccc(Nc2nnc(C)c3ccccc23)cc1C(N)=O
InChIInChI=1S/C17H16N4O2/c1-10-12-5-3-4-6-13(12)17(21-20-10)19-11-7-8-15(23-2)14(9-11)16(18)22/h3-9H,1-2H3,(H2,18,22)(H,19,21)
InChIKeyCOZRULPVZPLNNP-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.79
Rot. Bonds4

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

2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide (PubChem CID 659452) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide
PubChem CID659452
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCOc1ccc(Nc2nnc(C)c3ccccc23)cc1C(N)=O
InChIInChI=1S/C17H16N4O2/c1-10-12-5-3-4-6-13(12)17(21-20-10)19-11-7-8-15(23-2)14(9-11)16(18)22/h3-9H,1-2H3,(H2,18,22)(H,19,21)
InChIKeyCOZRULPVZPLNNP-UHFFFAOYSA-N
XLogP2.79
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.79
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
N-(4-methoxyphenyl)-4-methylphthalazin-1-amine
CID 3124064
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
2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11537541
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-methylphthalazin-1-yl)amino]benzamide?
The IUPAC name of 2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide (CID 659452) is 2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide.
What is the SMILES notation for 2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide?
The canonical SMILES for 2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide is COc1ccc(Nc2nnc(C)c3ccccc23)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide?
The InChIKey is COZRULPVZPLNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10-12-5-3-4-6-13(12)17(21-20-10)19-11-7-8-15(23-2)14(9-11)16(18)22/h3-9H,1-2H3,(H2,18,22)(H,19,21).
What are the key properties of 2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide?
2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(4-methylphthalazin-1-yl)amino]benzamide is sourced from PubChem (CID 659452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).