2-[2-(3-methylanilino)ethyl]phthalazin-1-one

C17H17N3O — CID 62564352

IUPAC2-[2-(3-methylanilino)ethyl]phthalazin-1-one
SMILESCc1cccc(NCCn2ncc3ccccc3c2=O)c1
InChIInChI=1S/C17H17N3O/c1-13-5-4-7-15(11-13)18-9-10-20-17(21)16-8-3-2-6-14(16)12-19-20/h2-8,11-12,18H,9-10H2,1H3
InChIKeyRWZAOVWIJARSGY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.82
Rot. Bonds4

About 2-[2-(3-methylanilino)ethyl]phthalazin-1-one

2-[2-(3-methylanilino)ethyl]phthalazin-1-one (PubChem CID 62564352) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(3-methylanilino)ethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-(3-methylanilino)ethyl]phthalazin-1-one
PubChem CID62564352
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[2-(3-methylanilino)ethyl]phthalazin-1-one
SMILESCc1cccc(NCCn2ncc3ccccc3c2=O)c1
InChIInChI=1S/C17H17N3O/c1-13-5-4-7-15(11-13)18-9-10-20-17(21)16-8-3-2-6-14(16)12-19-20/h2-8,11-12,18H,9-10H2,1H3
InChIKeyRWZAOVWIJARSGY-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

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Related Compounds

2-[2-(2-methylanilino)ethyl]phthalazin-1-one
CID 62562795
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-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
1-[2-(3-methylanilino)ethyl]quinolin-4-one
CID 62565332
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide
CID 56874919
2,2-dimethyl-4-(1-oxophthalazin-2-yl)butanoic acid
CID 65248238
6-methyl-2-propylphthalazin-1-one
CID 170390564
2-(5-chloropentyl)phthalazin-1-one
CID 43348317

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylanilino)ethyl]phthalazin-1-one?
The IUPAC name of 2-[2-(3-methylanilino)ethyl]phthalazin-1-one (CID 62564352) is 2-[2-(3-methylanilino)ethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-(3-methylanilino)ethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-(3-methylanilino)ethyl]phthalazin-1-one is Cc1cccc(NCCn2ncc3ccccc3c2=O)c1.
What is the InChIKey of 2-[2-(3-methylanilino)ethyl]phthalazin-1-one?
The InChIKey is RWZAOVWIJARSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-5-4-7-15(11-13)18-9-10-20-17(21)16-8-3-2-6-14(16)12-19-20/h2-8,11-12,18H,9-10H2,1H3.
What are the key properties of 2-[2-(3-methylanilino)ethyl]phthalazin-1-one?
2-[2-(3-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-(3-methylanilino)ethyl]phthalazin-1-one is sourced from PubChem (CID 62564352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).