4-[(2-methylanilino)methyl]-2H-phthalazin-1-one

C16H15N3O — CID 20850439

IUPAC4-[(2-methylanilino)methyl]-2H-phthalazin-1-one
SMILESCc1ccccc1NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H15N3O/c1-11-6-2-5-9-14(11)17-10-15-12-7-3-4-8-13(12)16(20)19-18-15/h2-9,17H,10H2,1H3,(H,19,20)
InChIKeyABBYZDDCQRKSQS-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.84
Rot. Bonds3

About 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one

4-[(2-methylanilino)methyl]-2H-phthalazin-1-one (PubChem CID 20850439) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(2-methylanilino)methyl]-2H-phthalazin-1-one
PubChem CID20850439
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[(2-methylanilino)methyl]-2H-phthalazin-1-one
SMILESCc1ccccc1NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H15N3O/c1-11-6-2-5-9-14(11)17-10-15-12-7-3-4-8-13(12)16(20)19-18-15/h2-9,17H,10H2,1H3,(H,19,20)
InChIKeyABBYZDDCQRKSQS-UHFFFAOYSA-N
XLogP2.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
CID 11821543
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
4-[[(4-phenylphthalazin-1-yl)amino]methyl]-2H-phthalazin-1-one
CID 23820068
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
4-(2-methylpropyl)-2H-phthalazin-1-one
CID 10035755
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110734385
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide
CID 122191897
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
4-[(4-amino-2,6-dimethylphenyl)methyl]-2H-phthalazin-1-one
CID 177195970

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one (CID 20850439) is 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one is Cc1ccccc1NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one?
The InChIKey is ABBYZDDCQRKSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-6-2-5-9-14(11)17-10-15-12-7-3-4-8-13(12)16(20)19-18-15/h2-9,17H,10H2,1H3,(H,19,20).
What are the key properties of 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one?
4-[(2-methylanilino)methyl]-2H-phthalazin-1-one has a molecular weight of 265.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylanilino)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 20850439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).