6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one

C17H18N2O — CID 165000358

IUPAC6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one
SMILESC=c1c2ccc(N(C)C)c3cccc(c(=O)n1CC)c32
InChIInChI=1S/C17H18N2O/c1-5-19-11(2)12-9-10-15(18(3)4)13-7-6-8-14(16(12)13)17(19)20/h6-10H,2,5H2,1,3-4H3
InChIKeyIDZMGSWJUSCVSD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.37
Rot. Bonds2

About 6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one

6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one (PubChem CID 165000358) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one
PubChem CID165000358
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one
SMILESC=c1c2ccc(N(C)C)c3cccc(c(=O)n1CC)c32
InChIInChI=1S/C17H18N2O/c1-5-19-11(2)12-9-10-15(18(3)4)13-7-6-8-14(16(12)13)17(19)20/h6-10H,2,5H2,1,3-4H3
InChIKeyIDZMGSWJUSCVSD-UHFFFAOYSA-N
XLogP2.37
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one?
The IUPAC name of 6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one (CID 165000358) is 6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one.
What is the SMILES notation for 6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one?
The canonical SMILES for 6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one is C=c1c2ccc(N(C)C)c3cccc(c(=O)n1CC)c32.
What is the InChIKey of 6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one?
The InChIKey is IDZMGSWJUSCVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-5-19-11(2)12-9-10-15(18(3)4)13-7-6-8-14(16(12)13)17(19)20/h6-10H,2,5H2,1,3-4H3.
What are the key properties of 6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one?
6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one has a molecular weight of 266.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-ethyl-3-methylidenebenzo[de]isoquinolin-1-one is sourced from PubChem (CID 165000358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).