3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide

C17H21N3O2 — CID 3000174

IUPAC3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide
SMILESCC1CCCCC1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C17H21N3O2/c1-11-7-3-6-10-14(11)18-16(21)15-12-8-4-5-9-13(12)17(22)20(2)19-15/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,18,21)
InChIKeyAZBJKPCWRPJZES-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.24
Rot. Bonds2

About 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide

3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide (PubChem CID 3000174) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide
PubChem CID3000174
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide
SMILESCC1CCCCC1NC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C17H21N3O2/c1-11-7-3-6-10-14(11)18-16(21)15-12-8-4-5-9-13(12)17(22)20(2)19-15/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,18,21)
InChIKeyAZBJKPCWRPJZES-UHFFFAOYSA-N
XLogP2.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide 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

4-[[3-(Piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 25132612
2-Methyl-4-(phenylmethyl)phthalazin-1-one
CID 619552
N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
CID 738018
N-Methyl-2-(4-methyl-1-oxo-1H-phthalazin-2-yl)-acetamide
CID 655510
4-Methyl-1-oxo-2(1H)-phthalazineacetamide
CID 658785
2-(1-Oxo-4-phenyl-2(1H)-phthalazinyl)acetohydrazide
CID 712918
Talastine
CID 65624
N-(4,4-dimethylpentyl)-2-fluoro-4-methyl-5-(2-methyl-1-oxophthalazin-6-yl)benzamide
CID 162643602
N-Methyl-2-(1-oxo-4-p-tolyl-1H-phthalazin-2-yl)-acetamide
CID 714735
3-[4-(4-methylphenyl)-1-oxophthalazin-2(1H)-yl]propanamide
CID 752678
1-(2-Methyl-benzoyl)-piperidine-4-carboxylic acid cyclohexylamide
CID 801556
N-cyclohexyl-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 1290998

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide (CID 3000174) is 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide is CC1CCCCC1NC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is AZBJKPCWRPJZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-7-3-6-10-14(11)18-16(21)15-12-8-4-5-9-13(12)17(22)20(2)19-15/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,18,21).
What are the key properties of 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide?
3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylcyclohexyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 3000174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).