N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide

C19H18N2O4 — CID 7385130

IUPACN-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cccc3c2CCNC3=O)cc1
InChIInChI=1S/C19H18N2O4/c1-12(22)13-5-7-14(8-6-13)21-18(23)11-25-17-4-2-3-16-15(17)9-10-20-19(16)24/h2-8H,9-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyBEWOVIZOBHRPRH-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.19
Rot. Bonds5

About N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide

N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide (PubChem CID 7385130) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
PubChem CID7385130
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
SMILESCC(=O)c1ccc(NC(=O)COc2cccc3c2CCNC3=O)cc1
InChIInChI=1S/C19H18N2O4/c1-12(22)13-5-7-14(8-6-13)21-18(23)11-25-17-4-2-3-16-15(17)9-10-20-19(16)24/h2-8H,9-11H2,1H3,(H,20,24)(H,21,23)
InChIKeyBEWOVIZOBHRPRH-UHFFFAOYSA-N
XLogP2.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide
CID 7385141
N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385132
N-[4-(4-acetylanilino)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112988234
2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]-N-(4-phenoxyphenyl)acetamide
CID 41402254
ethyl 4-[[2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetyl]amino]benzoate
CID 2151936
N-(4-acetylphenyl)-2-(2-nitrophenoxy)acetamide
CID 717260
N-(4-acetylphenyl)-2-(2,4,5-trimethylphenoxy)acetamide
CID 17360274
N-(4-acetylphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 1047129
N-(4-acetylphenyl)-2-pyridin-3-yloxyacetamide
CID 110487947
N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
CID 2151972
N-(4-acetylphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 724281
N-(4-acetylphenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 20933073

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide (CID 7385130) is N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide is CC(=O)c1ccc(NC(=O)COc2cccc3c2CCNC3=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
The InChIKey is BEWOVIZOBHRPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(22)13-5-7-14(8-6-13)21-18(23)11-25-17-4-2-3-16-15(17)9-10-20-19(16)24/h2-8H,9-11H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide?
N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide has a molecular weight of 338.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide is sourced from PubChem (CID 7385130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).