N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide

C18H21N3O2 — CID 121289138

IUPACN-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2
InChIInChI=1S/C18H21N3O2/c1-12(22)19-16-8-7-13-11-21(10-9-20(2)3)18(23)15-6-4-5-14(16)17(13)15/h4-8H,9-11H2,1-3H3,(H,19,22)
InChIKeyOGIAAWYJWSOHNE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.32
Rot. Bonds4

About N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide

N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide (PubChem CID 121289138) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide
PubChem CID121289138
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2
InChIInChI=1S/C18H21N3O2/c1-12(22)19-16-8-7-13-11-21(10-9-20(2)3)18(23)15-6-4-5-14(16)17(13)15/h4-8H,9-11H2,1-3H3,(H,19,22)
InChIKeyOGIAAWYJWSOHNE-UHFFFAOYSA-N
XLogP2.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide (CID 121289138) is N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide is CC(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide?
The InChIKey is OGIAAWYJWSOHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(22)19-16-8-7-13-11-21(10-9-20(2)3)18(23)15-6-4-5-14(16)17(13)15/h4-8H,9-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide?
N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide is sourced from PubChem (CID 121289138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).