1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C12H15NO2 — CID 21447008

IUPAC1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCC(=O)N1CCc2cc(O)ccc2C1C
InChIInChI=1S/C12H15NO2/c1-8-12-4-3-11(15)7-10(12)5-6-13(8)9(2)14/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyOETVYRJDJWKUNX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.86
Rot. Bonds

About 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 21447008) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID21447008
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESCC(=O)N1CCc2cc(O)ccc2C1C
InChIInChI=1S/C12H15NO2/c1-8-12-4-3-11(15)7-10(12)5-6-13(8)9(2)14/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyOETVYRJDJWKUNX-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone 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

6-hydroxy-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 68884922
1-(7-methoxy-1-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 563942
1-[(1R)-1-(4-hydroxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 95240393
1-[(1S)-1-(4-hydroxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 95240392
1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 110314223
6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110314273
1-(1,6-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-one
CID 20608520
(4-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314261
(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314237
N-butan-2-yl-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110633711
(2-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314259
1-acetyl-2-methylpyrrolidin-3-one
CID 91618567

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 21447008) is 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is CC(=O)N1CCc2cc(O)ccc2C1C.
What is the InChIKey of 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is OETVYRJDJWKUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-12-4-3-11(15)7-10(12)5-6-13(8)9(2)14/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 21447008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).