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

C12H17N3O2 — CID 81104277

IUPAC2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C12H17N3O2/c1-14-11(16)7-15-10-4-2-3-9(13)8(10)5-6-12(15)17/h5-6,9H,2-4,7,13H2,1H3,(H,14,16)
InChIKeyUQJUEPHAORVUHI-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.07
Rot. Bonds2

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

2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide (PubChem CID 81104277) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide
PubChem CID81104277
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C12H17N3O2/c1-14-11(16)7-15-10-4-2-3-9(13)8(10)5-6-12(15)17/h5-6,9H,2-4,7,13H2,1H3,(H,14,16)
InChIKeyUQJUEPHAORVUHI-UHFFFAOYSA-N
XLogP-0.07
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
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-methylacetamide?
The IUPAC name of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide (CID 81104277) is 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide is CNC(=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-methylacetamide?
The InChIKey is UQJUEPHAORVUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-11(16)7-15-10-4-2-3-9(13)8(10)5-6-12(15)17/h5-6,9H,2-4,7,13H2,1H3,(H,14,16).
What are the key properties of 2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide?
2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide has a molecular weight of 235.29 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 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-methylacetamide is sourced from PubChem (CID 81104277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).