1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone

C18H15NO2 — CID 63939387

IUPAC1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1cncc2ccccc12
InChIInChI=1S/C18H15NO2/c1-21-18-9-5-3-6-13(18)10-17(20)16-12-19-11-14-7-2-4-8-15(14)16/h2-9,11-12H,10H2,1H3
InChIKeyHHHUNKNXAXGCNQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.67
Rot. Bonds4

About 1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone

1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone (PubChem CID 63939387) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone
PubChem CID63939387
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1cncc2ccccc12
InChIInChI=1S/C18H15NO2/c1-21-18-9-5-3-6-13(18)10-17(20)16-12-19-11-14-7-2-4-8-15(14)16/h2-9,11-12H,10H2,1H3
InChIKeyHHHUNKNXAXGCNQ-UHFFFAOYSA-N
XLogP3.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-4-yl-2-(4-methylphenyl)ethanone
CID 63940934
1-(3-methoxy-4-pyridinyl)-2-naphthalen-1-ylethanone
CID 105064886
1-(2-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077883
2-[2-(2-methoxyphenyl)acetyl]benzoic acid
CID 83743438
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-(2-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 61077704
2-(3,4-dichlorophenyl)-1-isoquinolin-4-ylethanone
CID 63940735
2-(tert-butylamino)-1-isoquinolin-4-ylethanone
CID 116588849
2-(3,4-difluorophenyl)-1-isoquinolin-4-ylethanone
CID 114971959
1-isoquinolin-4-yl-2-methoxy-2-phenylethanone
CID 116751473
N-(isoquinolin-4-ylmethyl)-2-methoxyaniline
CID 115884033
4-amino-1-isoquinolin-4-yl-3-methylbutan-1-one
CID 116596552

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone (CID 63939387) is 1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)c1cncc2ccccc12.
What is the InChIKey of 1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone?
The InChIKey is HHHUNKNXAXGCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-21-18-9-5-3-6-13(18)10-17(20)16-12-19-11-14-7-2-4-8-15(14)16/h2-9,11-12H,10H2,1H3.
What are the key properties of 1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone?
1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone has a molecular weight of 277.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-4-yl-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 63939387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).