N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide

C18H16N2O2 — CID 15907370

IUPACN-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(COc2cccc3cnccc23)c1
InChIInChI=1S/C18H16N2O2/c1-13(21)20-16-6-2-4-14(10-16)12-22-18-7-3-5-15-11-19-9-8-17(15)18/h2-11H,12H2,1H3,(H,20,21)
InChIKeyXXXYACXZDANDGD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.77
Rot. Bonds4

About N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide

N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide (PubChem CID 15907370) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide
PubChem CID15907370
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(COc2cccc3cnccc23)c1
InChIInChI=1S/C18H16N2O2/c1-13(21)20-16-6-2-4-14(10-16)12-22-18-7-3-5-15-11-19-9-8-17(15)18/h2-11H,12H2,1H3,(H,20,21)
InChIKeyXXXYACXZDANDGD-UHFFFAOYSA-N
XLogP3.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4R)-2,2-diethyl-8-fluoro-3,4-dihydrochromen-4-yl]-3-(3-methylisoquinolin-5-yl)urea
CID 25265637
7-isoquinolin-4-yl-4H-1,4-benzoxazin-3-one
CID 44480386
5-[(3-Isobutoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571868
Grc-6211
CID 138393987
N-[2-(quinolin-8-yloxy)ethyl]acetamide
CID 3104609
[3-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618142
[4-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618143
6-Phenyl-7-(piperidin-4-yloxy)isoquinoline
CID 42618144
6-Phenyl-7-piperidin-3-yloxyisoquinoline
CID 42618153
6-Phenyl-7-(piperidin-3-ylmethoxy)isoquinoline
CID 42618154
N-isoquinolin-6-yl-2-(2-methylphenoxy)acetamide
CID 138115404
3-[2-Methyl-3-(piperidin-4-yl)phenoxymethyl]pyridine
CID 25263319

Frequently Asked Questions

What is the IUPAC name of N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide?
The IUPAC name of N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide (CID 15907370) is N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide?
The canonical SMILES for N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide is CC(=O)Nc1cccc(COc2cccc3cnccc23)c1.
What is the InChIKey of N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide?
The InChIKey is XXXYACXZDANDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13(21)20-16-6-2-4-14(10-16)12-22-18-7-3-5-15-11-19-9-8-17(15)18/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide?
N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(isoquinolin-5-yloxymethyl)phenyl]acetamide is sourced from PubChem (CID 15907370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).