2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide

C13H19N3O2 — CID 81104419

IUPAC2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C13H19N3O2/c1-15(2)13(18)8-16-11-5-3-4-10(14)9(11)6-7-12(16)17/h6-7,10H,3-5,8,14H2,1-2H3
InChIKeyHUJWAINANRHAQY-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.27
Rot. Bonds2

About 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide

2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide (PubChem CID 81104419) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide
PubChem CID81104419
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C13H19N3O2/c1-15(2)13(18)8-16-11-5-3-4-10(14)9(11)6-7-12(16)17/h6-7,10H,3-5,8,14H2,1-2H3
InChIKeyHUJWAINANRHAQY-UHFFFAOYSA-N
XLogP0.27
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide (CID 81104419) is 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1c2c(ccc1=O)C(N)CCC2.
What is the InChIKey of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide?
The InChIKey is HUJWAINANRHAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(2)13(18)8-16-11-5-3-4-10(14)9(11)6-7-12(16)17/h6-7,10H,3-5,8,14H2,1-2H3.
What are the key properties of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide?
2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 81104419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).