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

C19H18N2O3 — CID 137290391

IUPACN-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(O)n(C)c(=O)c3ccccc23)c(C)c1
InChIInChI=1S/C19H18N2O3/c1-11-8-9-15(12(2)10-11)20-17(22)16-13-6-4-5-7-14(13)18(23)21(3)19(16)24/h4-10,24H,1-3H3,(H,20,22)
InChIKeyIUTUOVXTSIHABW-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.11
Rot. Bonds2

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

N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 137290391) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID137290391
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(O)n(C)c(=O)c3ccccc23)c(C)c1
InChIInChI=1S/C19H18N2O3/c1-11-8-9-15(12(2)10-11)20-17(22)16-13-6-4-5-7-14(13)18(23)21(3)19(16)24/h4-10,24H,1-3H3,(H,20,22)
InChIKeyIUTUOVXTSIHABW-UHFFFAOYSA-N
XLogP3.11
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137279231
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 135497306
N-(2,4-dimethylphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015275
7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137314264
(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
N-(2,4-dimethylphenyl)-4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 22578709
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
N-(2,4-dimethylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 23945130

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 137290391) is N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide is Cc1ccc(NC(=O)c2c(O)n(C)c(=O)c3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is IUTUOVXTSIHABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-8-9-15(12(2)10-11)20-17(22)16-13-6-4-5-7-14(13)18(23)21(3)19(16)24/h4-10,24H,1-3H3,(H,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 137290391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).