1-(8-methylisoquinolin-5-yl)ethanone

C12H11NO — CID 82576121

IUPAC1-(8-methylisoquinolin-5-yl)ethanone
SMILESCC(=O)c1ccc(C)c2cnccc12
InChIInChI=1S/C12H11NO/c1-8-3-4-10(9(2)14)11-5-6-13-7-12(8)11/h3-7H,1-2H3
InChIKeyFQZXAQKJOLZJQJ-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.75
Rot. Bonds1

About 1-(8-methylisoquinolin-5-yl)ethanone

1-(8-methylisoquinolin-5-yl)ethanone (PubChem CID 82576121) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-(8-methylisoquinolin-5-yl)ethanone.

Molecular Properties

Compound Name1-(8-methylisoquinolin-5-yl)ethanone
PubChem CID82576121
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name1-(8-methylisoquinolin-5-yl)ethanone
SMILESCC(=O)c1ccc(C)c2cnccc12
InChIInChI=1S/C12H11NO/c1-8-3-4-10(9(2)14)11-5-6-13-7-12(8)11/h3-7H,1-2H3
InChIKeyFQZXAQKJOLZJQJ-UHFFFAOYSA-N
XLogP2.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 8-methylisoquinoline-5-carboxylate
CID 82574567
1-(8-fluoroisoquinolin-5-yl)ethanone
CID 82576116
methyl 5-acetylisoquinoline-8-carboxylate
CID 146443452
5-fluoro-8-methylisoquinoline
CID 125425947
CID 171812970
CID 171812970
1-(5-methylnaphthalen-1-yl)ethanone
CID 15563480
3-acetylpyridine-4-carboxylic acid
CID 19902844
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
CID 145465231
1-(2-methyl-4-pyridin-3-ylphenyl)ethanone
CID 20716212
1-(2,3,4-trimethylphenyl)ethanone
CID 590291
1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone
CID 123152359

Frequently Asked Questions

What is the IUPAC name of 1-(8-methylisoquinolin-5-yl)ethanone?
The IUPAC name of 1-(8-methylisoquinolin-5-yl)ethanone (CID 82576121) is 1-(8-methylisoquinolin-5-yl)ethanone.
What is the SMILES notation for 1-(8-methylisoquinolin-5-yl)ethanone?
The canonical SMILES for 1-(8-methylisoquinolin-5-yl)ethanone is CC(=O)c1ccc(C)c2cnccc12.
What is the InChIKey of 1-(8-methylisoquinolin-5-yl)ethanone?
The InChIKey is FQZXAQKJOLZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-8-3-4-10(9(2)14)11-5-6-13-7-12(8)11/h3-7H,1-2H3.
What are the key properties of 1-(8-methylisoquinolin-5-yl)ethanone?
1-(8-methylisoquinolin-5-yl)ethanone has a molecular weight of 185.23 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methylisoquinolin-5-yl)ethanone is sourced from PubChem (CID 82576121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).