1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone

C19H18N2O — CID 11529405

IUPAC1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone
SMILESCN(C)c1ccc(C(=O)Cc2nccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O/c1-21(2)16-9-7-15(8-10-16)19(22)13-18-17-6-4-3-5-14(17)11-12-20-18/h3-12H,13H2,1-2H3
InChIKeyUZOXEQWQDRUFSK-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone

1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone (PubChem CID 11529405) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone
PubChem CID11529405
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone
SMILESCN(C)c1ccc(C(=O)Cc2nccc3ccccc23)cc1
InChIInChI=1S/C19H18N2O/c1-21(2)16-9-7-15(8-10-16)19(22)13-18-17-6-4-3-5-14(17)11-12-20-18/h3-12H,13H2,1-2H3
InChIKeyUZOXEQWQDRUFSK-UHFFFAOYSA-N
XLogP3.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone (CID 11529405) is 1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone is CN(C)c1ccc(C(=O)Cc2nccc3ccccc23)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone?
The InChIKey is UZOXEQWQDRUFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-21(2)16-9-7-15(8-10-16)19(22)13-18-17-6-4-3-5-14(17)11-12-20-18/h3-12H,13H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone?
1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone has a molecular weight of 290.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone is sourced from PubChem (CID 11529405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).