2-(6-methylisoquinolin-1-yl)acetamide

C12H12N2O — CID 82575262

IUPAC2-(6-methylisoquinolin-1-yl)acetamide
SMILESCc1ccc2c(CC(N)=O)nccc2c1
InChIInChI=1S/C12H12N2O/c1-8-2-3-10-9(6-8)4-5-14-11(10)7-12(13)15/h2-6H,7H2,1H3,(H2,13,15)
InChIKeyURJQKUKXEKKTNK-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.57
Rot. Bonds2

About 2-(6-methylisoquinolin-1-yl)acetamide

2-(6-methylisoquinolin-1-yl)acetamide (PubChem CID 82575262) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(6-methylisoquinolin-1-yl)acetamide.

Molecular Properties

Compound Name2-(6-methylisoquinolin-1-yl)acetamide
PubChem CID82575262
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(6-methylisoquinolin-1-yl)acetamide
SMILESCc1ccc2c(CC(N)=O)nccc2c1
InChIInChI=1S/C12H12N2O/c1-8-2-3-10-9(6-8)4-5-14-11(10)7-12(13)15/h2-6H,7H2,1H3,(H2,13,15)
InChIKeyURJQKUKXEKKTNK-UHFFFAOYSA-N
XLogP1.57
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-methylisoquinolin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6,7,8-trifluoroisoquinolin-1-yl)acetamide
CID 82575289
1,6-dimethylisoquinoline;ethane
CID 156751069
(E)-3-(6-methylisoquinolin-1-yl)prop-2-enoic acid
CID 82580115
2-(1H-pyrrolo[3,2-c]pyridin-4-yl)acetamide
CID 89240037
2-(2,6-dimethylquinolin-4-yl)acetamide
CID 82575379
2-(2-ethoxy-4-methylphenyl)acetamide
CID 146656384
7-methylisoquinolin-1-amine
CID 18727905
2-methyl-1-(7-methylisoquinolin-1-yl)propan-2-amine
CID 82577196
3-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)propanamide
CID 82578337
1,7-dimethylisoquinoline
CID 59050335
2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
N-hydroxy-7-methylisoquinoline-1-carboxamide
CID 82574344

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylisoquinolin-1-yl)acetamide?
The IUPAC name of 2-(6-methylisoquinolin-1-yl)acetamide (CID 82575262) is 2-(6-methylisoquinolin-1-yl)acetamide.
What is the SMILES notation for 2-(6-methylisoquinolin-1-yl)acetamide?
The canonical SMILES for 2-(6-methylisoquinolin-1-yl)acetamide is Cc1ccc2c(CC(N)=O)nccc2c1.
What is the InChIKey of 2-(6-methylisoquinolin-1-yl)acetamide?
The InChIKey is URJQKUKXEKKTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-2-3-10-9(6-8)4-5-14-11(10)7-12(13)15/h2-6H,7H2,1H3,(H2,13,15).
What are the key properties of 2-(6-methylisoquinolin-1-yl)acetamide?
2-(6-methylisoquinolin-1-yl)acetamide has a molecular weight of 200.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylisoquinolin-1-yl)acetamide is sourced from PubChem (CID 82575262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).