2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one

C22H24N4O2 — CID 55533497

IUPAC2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCc1nn(CC(=O)n2cccc/c2=N\C2CCCCC2)c(=O)c2ccccc12
InChIInChI=1S/C22H24N4O2/c1-16-18-11-5-6-12-19(18)22(28)26(24-16)15-21(27)25-14-8-7-13-20(25)23-17-9-3-2-4-10-17/h5-8,11-14,17H,2-4,9-10,15H2,1H3/b23-20+
InChIKeyKXKCLKNYISLMMT-BSYVCWPDSA-N
MW376.46 g/mol
LogP3.08
Rot. Bonds3

About 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one

2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one (PubChem CID 55533497) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one
PubChem CID55533497
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCc1nn(CC(=O)n2cccc/c2=N\C2CCCCC2)c(=O)c2ccccc12
InChIInChI=1S/C22H24N4O2/c1-16-18-11-5-6-12-19(18)22(28)26(24-16)15-21(27)25-14-8-7-13-20(25)23-17-9-3-2-4-10-17/h5-8,11-14,17H,2-4,9-10,15H2,1H3/b23-20+
InChIKeyKXKCLKNYISLMMT-BSYVCWPDSA-N
XLogP3.08
TPSA69.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one?
The IUPAC name of 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one (CID 55533497) is 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one.
What is the SMILES notation for 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one?
The canonical SMILES for 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one is Cc1nn(CC(=O)n2cccc/c2=N\C2CCCCC2)c(=O)c2ccccc12.
What is the InChIKey of 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one?
The InChIKey is KXKCLKNYISLMMT-BSYVCWPDSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-18-11-5-6-12-19(18)22(28)26(24-16)15-21(27)25-14-8-7-13-20(25)23-17-9-3-2-4-10-17/h5-8,11-14,17H,2-4,9-10,15H2,1H3/b23-20+.
What are the key properties of 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one?
2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one has a molecular weight of 376.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-4-methylphthalazin-1-one is sourced from PubChem (CID 55533497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).