N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide

C19H18N2O — CID 7206823

IUPACN-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ccccc2C)c2ccncc12
InChIInChI=1S/C19H18N2O/c1-13-5-3-4-6-16(13)17-8-7-15(11-21-14(2)22)19-12-20-10-9-18(17)19/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyMTLCTOGTZLSUGC-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.85
Rot. Bonds3

About N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide

N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide (PubChem CID 7206823) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide
PubChem CID7206823
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ccccc2C)c2ccncc12
InChIInChI=1S/C19H18N2O/c1-13-5-3-4-6-16(13)17-8-7-15(11-21-14(2)22)19-12-20-10-9-18(17)19/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyMTLCTOGTZLSUGC-UHFFFAOYSA-N
XLogP3.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7327457
1-benzyl-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea
CID 7362545
2-methyl-3-[8-[[(2-methylpyrazole-3-carbonyl)amino]methyl]isoquinolin-5-yl]benzoic acid
CID 138503529
N-[[5-(4-methoxy-3-methylphenyl)isoquinolin-8-yl]methyl]-3-phenylpropanamide
CID 7267574
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941
3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide
CID 7439016
3-methyl-4-(2-methylphenyl)pyridine
CID 130153052
4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
CID 118928930
2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7287962
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
2-[4-(aminomethyl)phenyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 114698239

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide?
The IUPAC name of N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide (CID 7206823) is N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide?
The canonical SMILES for N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2ccccc2C)c2ccncc12.
What is the InChIKey of N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide?
The InChIKey is MTLCTOGTZLSUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13-5-3-4-6-16(13)17-8-7-15(11-21-14(2)22)19-12-20-10-9-18(17)19/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide?
N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide has a molecular weight of 290.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylphenyl)isoquinolin-8-yl]methyl]acetamide is sourced from PubChem (CID 7206823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).