2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide

C19H20N2O3 — CID 90524772

IUPAC2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1
InChIInChI=1S/C19H20N2O3/c1-2-24-16-7-3-13(4-8-16)11-18(22)21-15-6-5-14-9-10-20-19(23)17(14)12-15/h3-8,12H,2,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyRLIWFYXUWBNDQX-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.55
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide

2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide (PubChem CID 90524772) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide
PubChem CID90524772
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1
InChIInChI=1S/C19H20N2O3/c1-2-24-16-7-3-13(4-8-16)11-18(22)21-15-6-5-14-9-10-20-19(23)17(14)12-15/h3-8,12H,2,9-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyRLIWFYXUWBNDQX-UHFFFAOYSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butoxyphenyl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 90524964
1-[(4-methoxyphenyl)methyl]-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 90524954
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-2-(4-ethoxyphenyl)acetamide
CID 110745630
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-ethoxyphenyl)acetamide
CID 16942838
2-(4-ethoxyphenyl)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38779334
5-bromo-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)furan-2-carboxamide
CID 90524797
3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524781
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
N-(4-ethoxyphenyl)-2-naphthalen-2-ylacetamide
CID 2992988

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide (CID 90524772) is 2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide is CCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NCC3)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide?
The InChIKey is RLIWFYXUWBNDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-24-16-7-3-13(4-8-16)11-18(22)21-15-6-5-14-9-10-20-19(23)17(14)12-15/h3-8,12H,2,9-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide?
2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide is sourced from PubChem (CID 90524772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).