N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide

C19H17ClN2O3 — CID 7293115

IUPACN-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COc2cccc3c(=O)n(C)ccc23)cc1Cl
InChIInChI=1S/C19H17ClN2O3/c1-12-6-7-13(10-16(12)20)21-18(23)11-25-17-5-3-4-15-14(17)8-9-22(2)19(15)24/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyVYQQXTJOYIXSKH-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.52
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide

N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide (PubChem CID 7293115) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
PubChem CID7293115
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
SMILESCc1ccc(NC(=O)COc2cccc3c(=O)n(C)ccc23)cc1Cl
InChIInChI=1S/C19H17ClN2O3/c1-12-6-7-13(10-16(12)20)21-18(23)11-25-17-5-3-4-15-14(17)8-9-22(2)19(15)24/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyVYQQXTJOYIXSKH-UHFFFAOYSA-N
XLogP3.52
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-(4-methylphenyl)acetamide
CID 43985187
2-(2-methyl-1-oxoisoquinolin-5-yl)oxy-N-phenylacetamide
CID 7293077
N-(3-chloro-4-methylphenyl)-2-[(1-oxo-2H-isoquinolin-5-yl)oxy]acetamide
CID 43985456
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293099
N-[(2-chlorophenyl)methyl]-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293123
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293076
ethyl 2-[[2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetyl]amino]acetate
CID 43985195
N-cyclopentyl-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293095
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
2-(4-chloronaphthalen-1-yl)oxy-N-(3-fluoro-4-methylphenyl)acetamide
CID 7916235

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide (CID 7293115) is N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide is Cc1ccc(NC(=O)COc2cccc3c(=O)n(C)ccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
The InChIKey is VYQQXTJOYIXSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-6-7-13(10-16(12)20)21-18(23)11-25-17-5-3-4-15-14(17)8-9-22(2)19(15)24/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide?
N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide has a molecular weight of 356.81 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide is sourced from PubChem (CID 7293115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).