2-[2-(2-methylanilino)ethyl]phthalazin-1-one

C17H17N3O — CID 62562795

IUPAC2-[2-(2-methylanilino)ethyl]phthalazin-1-one
SMILESCc1ccccc1NCCn1ncc2ccccc2c1=O
InChIInChI=1S/C17H17N3O/c1-13-6-2-5-9-16(13)18-10-11-20-17(21)15-8-4-3-7-14(15)12-19-20/h2-9,12,18H,10-11H2,1H3
InChIKeyVJLOEUAQTZESTO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.82
Rot. Bonds4

About 2-[2-(2-methylanilino)ethyl]phthalazin-1-one

2-[2-(2-methylanilino)ethyl]phthalazin-1-one (PubChem CID 62562795) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(2-methylanilino)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(2-methylanilino)ethyl]phthalazin-1-one
PubChem CID62562795
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[2-(2-methylanilino)ethyl]phthalazin-1-one
SMILESCc1ccccc1NCCn1ncc2ccccc2c1=O
InChIInChI=1S/C17H17N3O/c1-13-6-2-5-9-16(13)18-10-11-20-17(21)15-8-4-3-7-14(15)12-19-20/h2-9,12,18H,10-11H2,1H3
InChIKeyVJLOEUAQTZESTO-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(2-methylanilino)ethyl]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-(3-methylanilino)ethyl]phthalazin-1-one
CID 62564352
2-[2-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)amino]ethyl]phthalazin-1-one
CID 176503642
2-[2-[(5-propyl-1,2,4-oxadiazol-3-yl)amino]ethyl]phthalazin-1-one
CID 122571805
2-(2,2-dimethylpropyl)phthalazin-1-one
CID 122497308
2-[2-[(2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]ethyl]phthalazin-1-one
CID 50976590
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
2,2-dimethyl-4-(1-oxophthalazin-2-yl)butanoic acid
CID 65248238
2-(5-chloropentyl)phthalazin-1-one
CID 43348317
2-[2-amino-2-(2-methylphenyl)ethyl]phthalazin-1-one
CID 16784504
2-[2-(furan-2-ylmethylamino)ethyl]phthalazin-1-one
CID 62562619
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide
CID 56874919

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylanilino)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(2-methylanilino)ethyl]phthalazin-1-one (CID 62562795) is 2-[2-(2-methylanilino)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(2-methylanilino)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(2-methylanilino)ethyl]phthalazin-1-one is Cc1ccccc1NCCn1ncc2ccccc2c1=O.
What is the InChIKey of 2-[2-(2-methylanilino)ethyl]phthalazin-1-one?
The InChIKey is VJLOEUAQTZESTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-6-2-5-9-16(13)18-10-11-20-17(21)15-8-4-3-7-14(15)12-19-20/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 2-[2-(2-methylanilino)ethyl]phthalazin-1-one?
2-[2-(2-methylanilino)ethyl]phthalazin-1-one has a molecular weight of 279.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylanilino)ethyl]phthalazin-1-one is sourced from PubChem (CID 62562795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).