2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone

C19H17NO — CID 62813173

IUPAC2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone
SMILESCc1cc(C)cc(CC(=O)c2cccc3cnccc23)c1
InChIInChI=1S/C19H17NO/c1-13-8-14(2)10-15(9-13)11-19(21)18-5-3-4-16-12-20-7-6-17(16)18/h3-10,12H,11H2,1-2H3
InChIKeyHMEGMSFXVZDKFG-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.28
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone

2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone (PubChem CID 62813173) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone
PubChem CID62813173
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone
SMILESCc1cc(C)cc(CC(=O)c2cccc3cnccc23)c1
InChIInChI=1S/C19H17NO/c1-13-8-14(2)10-15(9-13)11-19(21)18-5-3-4-16-12-20-7-6-17(16)18/h3-10,12H,11H2,1-2H3
InChIKeyHMEGMSFXVZDKFG-UHFFFAOYSA-N
XLogP4.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-isoquinolin-5-yl-2-methylsulfanylethanone
CID 62813335
1-isoquinolin-5-yl-2-pyridin-2-ylethanone
CID 62812997
1-isoquinolin-5-yl-2-methylsulfonylethanone
CID 55119378
2-tert-butylsulfanyl-1-isoquinolin-5-ylethanone
CID 65133357
1-isoquinolin-5-yl-4-methylpentan-1-one
CID 62813326
4-hydroxy-1-isoquinolin-5-ylbutan-1-one
CID 106677466
4-chloro-1-isoquinolin-5-ylbutan-1-one
CID 66047534
1-isoquinolin-4-yl-2-(4-methylphenyl)ethanone
CID 63940934
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone
CID 22993741
2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
CID 54911077
1-isoquinolin-5-yl-3-(propan-2-ylamino)propan-1-one
CID 116556574
(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
CID 114970988

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone (CID 62813173) is 2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone is Cc1cc(C)cc(CC(=O)c2cccc3cnccc23)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone?
The InChIKey is HMEGMSFXVZDKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-13-8-14(2)10-15(9-13)11-19(21)18-5-3-4-16-12-20-7-6-17(16)18/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone?
2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone has a molecular weight of 275.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone is sourced from PubChem (CID 62813173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).