N-(3-ethoxyisoquinolin-1-yl)acetamide

C13H14N2O2 — CID 119092888

IUPACN-(3-ethoxyisoquinolin-1-yl)acetamide
SMILESCCOc1cc2ccccc2c(NC(C)=O)n1
InChIInChI=1S/C13H14N2O2/c1-3-17-12-8-10-6-4-5-7-11(10)13(15-12)14-9(2)16/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyMPRWIEWAHZTTSE-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.59
Rot. Bonds3

About N-(3-ethoxyisoquinolin-1-yl)acetamide

N-(3-ethoxyisoquinolin-1-yl)acetamide (PubChem CID 119092888) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(3-ethoxyisoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxyisoquinolin-1-yl)acetamide
PubChem CID119092888
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(3-ethoxyisoquinolin-1-yl)acetamide
SMILESCCOc1cc2ccccc2c(NC(C)=O)n1
InChIInChI=1S/C13H14N2O2/c1-3-17-12-8-10-6-4-5-7-11(10)13(15-12)14-9(2)16/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyMPRWIEWAHZTTSE-UHFFFAOYSA-N
XLogP2.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide
CID 14040412
3-ethoxy-1-methylsulfanylisoquinoline
CID 119090129
N-[1-(propanoylamino)isoquinolin-3-yl]propanamide
CID 69038931
N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide
CID 166387793
3-ethoxy-5-methyl-N-naphthalen-1-ylpyrazole-1-carboxamide
CID 12848006
boric acid;9-ethoxyanthracene
CID 175362289
N-(2-methylquinazolin-4-yl)acetamide
CID 13329017
1-(3-ethoxy-4-methoxyphenyl)-3-(4-methoxynaphthalen-2-yl)urea
CID 166327902
N-(2-ethoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015267
ethane;2-ethoxy-4-methylquinoline
CID 142037221
N-(7-ethoxyquinolin-6-yl)acetamide
CID 174923563
N-(3-pyridin-2-ylisoquinolin-1-yl)acetamide;N-(3-pyridin-2-ylisoquinolin-1-yl)benzamide;N-(2-pyridin-2-ylquinazolin-4-yl)benzamide
CID 88692628

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyisoquinolin-1-yl)acetamide?
The IUPAC name of N-(3-ethoxyisoquinolin-1-yl)acetamide (CID 119092888) is N-(3-ethoxyisoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(3-ethoxyisoquinolin-1-yl)acetamide?
The canonical SMILES for N-(3-ethoxyisoquinolin-1-yl)acetamide is CCOc1cc2ccccc2c(NC(C)=O)n1.
What is the InChIKey of N-(3-ethoxyisoquinolin-1-yl)acetamide?
The InChIKey is MPRWIEWAHZTTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-17-12-8-10-6-4-5-7-11(10)13(15-12)14-9(2)16/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-ethoxyisoquinolin-1-yl)acetamide?
N-(3-ethoxyisoquinolin-1-yl)acetamide has a molecular weight of 230.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyisoquinolin-1-yl)acetamide is sourced from PubChem (CID 119092888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).