4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide

C18H17N3O4 — CID 7385141

IUPAC4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2cccc3c2CCNC3=O)cc1
InChIInChI=1S/C18H17N3O4/c19-17(23)11-4-6-12(7-5-11)21-16(22)10-25-15-3-1-2-14-13(15)8-9-20-18(14)24/h1-7H,8-10H2,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyZYMWQSZXJHEXSF-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.09
Rot. Bonds5

About 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide

4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide (PubChem CID 7385141) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide
PubChem CID7385141
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2cccc3c2CCNC3=O)cc1
InChIInChI=1S/C18H17N3O4/c19-17(23)11-4-6-12(7-5-11)21-16(22)10-25-15-3-1-2-14-13(15)8-9-20-18(14)24/h1-7H,8-10H2,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyZYMWQSZXJHEXSF-UHFFFAOYSA-N
XLogP1.09
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide with MolForge

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Related Compounds

N-(4-acetylphenyl)-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385130
N-cyclopentyl-2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetamide
CID 7385132
4-[[2-(2-iodophenoxy)acetyl]amino]benzamide
CID 38878336
4-[[2-(2-ethylphenoxy)acetyl]amino]benzamide
CID 724713
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
2-[2-(4-fluoroanilino)-2-oxoethoxy]benzamide
CID 7283884
[2-(4-carbamoylanilino)-2-oxoethyl] 9,10-dioxoanthracene-1-carboxylate
CID 4148132
4-[[2-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetyl]amino]benzamide
CID 50745875
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791225
3-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
CID 51152953
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791695

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide (CID 7385141) is 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)COc2cccc3c2CCNC3=O)cc1.
What is the InChIKey of 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide?
The InChIKey is ZYMWQSZXJHEXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c19-17(23)11-4-6-12(7-5-11)21-16(22)10-25-15-3-1-2-14-13(15)8-9-20-18(14)24/h1-7H,8-10H2,(H2,19,23)(H,20,24)(H,21,22).
What are the key properties of 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide?
4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide has a molecular weight of 339.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)oxy]acetyl]amino]benzamide is sourced from PubChem (CID 7385141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).