N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide

C15H18N2O2 — CID 162686325

IUPACN-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide
SMILESCOc1ccc2cc(C)nc(CCNC(C)=O)c2c1
InChIInChI=1S/C15H18N2O2/c1-10-8-12-4-5-13(19-3)9-14(12)15(17-10)6-7-16-11(2)18/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyMTFOGLKEPQFUDA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.23
Rot. Bonds4

About N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide

N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide (PubChem CID 162686325) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide
PubChem CID162686325
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide
SMILESCOc1ccc2cc(C)nc(CCNC(C)=O)c2c1
InChIInChI=1S/C15H18N2O2/c1-10-8-12-4-5-13(19-3)9-14(12)15(17-10)6-7-16-11(2)18/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)
InChIKeyMTFOGLKEPQFUDA-UHFFFAOYSA-N
XLogP2.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;propanedioic acid
CID 71477284
N-[3-(7-methoxynaphthalen-1-yl)propyl]acetamide
CID 10220759
N-[2-[7-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]ethyl]acetamide
CID 175436340
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
N-[2-(7-methoxy-3-morpholin-4-ylnaphthalen-1-yl)ethyl]acetamide
CID 57381332

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide (CID 162686325) is N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide is COc1ccc2cc(C)nc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide?
The InChIKey is MTFOGLKEPQFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-8-12-4-5-13(19-3)9-14(12)15(17-10)6-7-16-11(2)18/h4-5,8-9H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide?
N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-3-methylisoquinolin-1-yl)ethyl]acetamide is sourced from PubChem (CID 162686325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).