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

C16H15N3O — CID 1482312

IUPAC4-[(N-methylanilino)methyl]-2H-phthalazin-1-one
SMILESCN(Cc1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-19(12-7-3-2-4-8-12)11-15-13-9-5-6-10-14(13)16(20)18-17-15/h2-10H,11H2,1H3,(H,18,20)
InChIKeyOWCUIKSPGKXNEW-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.56
Rot. Bonds3

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

4-[(N-methylanilino)methyl]-2H-phthalazin-1-one (PubChem CID 1482312) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(N-methylanilino)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(N-methylanilino)methyl]-2H-phthalazin-1-one
PubChem CID1482312
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[(N-methylanilino)methyl]-2H-phthalazin-1-one
SMILESCN(Cc1n[nH]c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N3O/c1-19(12-7-3-2-4-8-12)11-15-13-9-5-6-10-14(13)16(20)18-17-15/h2-10H,11H2,1H3,(H,18,20)
InChIKeyOWCUIKSPGKXNEW-UHFFFAOYSA-N
XLogP2.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-2H-phthalazin-1-one
CID 12649892
4-(2-methylpropyl)-2H-phthalazin-1-one
CID 10035755
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 40609430
4-[[4-[methyl(sulfamoyl)amino]phenyl]methyl]-1-oxo-2H-phthalazine
CID 157040103
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 110245433
4-[(4-methoxyphenoxy)methyl]-2H-phthalazin-1-one
CID 15358728
N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
CID 166201758
4-[(2-methylanilino)methyl]-2H-phthalazin-1-one
CID 20850439
4-[(2-methylphenoxy)methyl]-2H-phthalazin-1-one
CID 11821543
tert-butyl N-methyl-N-[4-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]carbamate
CID 157040156
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
4-[(4-amino-2,6-dimethylphenyl)methyl]-2H-phthalazin-1-one
CID 177195970

Frequently Asked Questions

What is the IUPAC name of 4-[(N-methylanilino)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(N-methylanilino)methyl]-2H-phthalazin-1-one (CID 1482312) is 4-[(N-methylanilino)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(N-methylanilino)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(N-methylanilino)methyl]-2H-phthalazin-1-one is CN(Cc1n[nH]c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of 4-[(N-methylanilino)methyl]-2H-phthalazin-1-one?
The InChIKey is OWCUIKSPGKXNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19(12-7-3-2-4-8-12)11-15-13-9-5-6-10-14(13)16(20)18-17-15/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of 4-[(N-methylanilino)methyl]-2H-phthalazin-1-one?
4-[(N-methylanilino)methyl]-2H-phthalazin-1-one has a molecular weight of 265.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-methylanilino)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 1482312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).