2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide

C22H22N2O2 — CID 171999865

IUPAC2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3c(=O)n2C2CCC2)c(C)c1
InChIInChI=1S/C22H22N2O2/c1-14-10-11-19(15(2)12-14)23-21(25)20-13-16-6-3-4-9-18(16)22(26)24(20)17-7-5-8-17/h3-4,6,9-13,17H,5,7-8H2,1-2H3,(H,23,25)
InChIKeyIJVTUDAQUWHLAB-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.60
Rot. Bonds3

About 2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide

2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide (PubChem CID 171999865) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide
PubChem CID171999865
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3ccccc3c(=O)n2C2CCC2)c(C)c1
InChIInChI=1S/C22H22N2O2/c1-14-10-11-19(15(2)12-14)23-21(25)20-13-16-6-3-4-9-18(16)22(26)24(20)17-7-5-8-17/h3-4,6,9-13,17H,5,7-8H2,1-2H3,(H,23,25)
InChIKeyIJVTUDAQUWHLAB-UHFFFAOYSA-N
XLogP4.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 112785733
N-(2,4-dimethylphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015275
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137290391
(2R)-N-(2,4-dimethylphenyl)-9-hydroxy-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 125145821
(10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
CID 92690693
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide (CID 171999865) is 2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide is Cc1ccc(NC(=O)c2cc3ccccc3c(=O)n2C2CCC2)c(C)c1.
What is the InChIKey of 2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide?
The InChIKey is IJVTUDAQUWHLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-14-10-11-19(15(2)12-14)23-21(25)20-13-16-6-3-4-9-18(16)22(26)24(20)17-7-5-8-17/h3-4,6,9-13,17H,5,7-8H2,1-2H3,(H,23,25).
What are the key properties of 2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide?
2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 171999865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).