2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide

C17H22N2O3 — CID 78855597

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CC1c2ccccc2C=CN1C(C)=O
InChIInChI=1S/C17H22N2O3/c1-3-18(10-11-20)17(22)12-16-15-7-5-4-6-14(15)8-9-19(16)13(2)21/h4-9,16,20H,3,10-12H2,1-2H3
InChIKeyAELRNPAXGZJBNS-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.79
Rot. Bonds5

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide (PubChem CID 78855597) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
PubChem CID78855597
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CC1c2ccccc2C=CN1C(C)=O
InChIInChI=1S/C17H22N2O3/c1-3-18(10-11-20)17(22)12-16-15-7-5-4-6-14(15)8-9-19(16)13(2)21/h4-9,16,20H,3,10-12H2,1-2H3
InChIKeyAELRNPAXGZJBNS-UHFFFAOYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 110886135
2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596114
2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119189073
4-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 17481724
2-(2-acetyl-1H-isoquinolin-1-yl)-N-cyclohexyl-N-methylacetamide
CID 51229164
2-(2-acetyl-1H-isoquinolin-1-yl)-N-pentan-3-ylacetamide
CID 134044607
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 51870085
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(3-aminobutyl)acetamide;hydrochloride
CID 119260378
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51292807
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9091672
2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 166197427
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60552472

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide (CID 78855597) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)CC1c2ccccc2C=CN1C(C)=O.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is AELRNPAXGZJBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-18(10-11-20)17(22)12-16-15-7-5-4-6-14(15)8-9-19(16)13(2)21/h4-9,16,20H,3,10-12H2,1-2H3.
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 78855597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).