N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide

C13H19N3O2 — CID 81104212

IUPACN-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide
SMILESCNC(=O)Cn1c2c(ccc1=O)C(NC)CCC2
InChIInChI=1S/C13H19N3O2/c1-14-10-4-3-5-11-9(10)6-7-13(18)16(11)8-12(17)15-2/h6-7,10,14H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyUMORTUQSLKDOMN-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.19
Rot. Bonds3

About N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide

N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide (PubChem CID 81104212) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide
PubChem CID81104212
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide
SMILESCNC(=O)Cn1c2c(ccc1=O)C(NC)CCC2
InChIInChI=1S/C13H19N3O2/c1-14-10-4-3-5-11-9(10)6-7-13(18)16(11)8-12(17)15-2/h6-7,10,14H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyUMORTUQSLKDOMN-UHFFFAOYSA-N
XLogP0.19
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-methylacetamide
CID 81104277
1-(2,3-dihydroxypropyl)-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 82850188
5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 107912994
1-[(2-bromophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 81116428
1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 81116316
5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 114528686
2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 81116125
5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
CID 81104358
2-(5-amino-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl)-N,N-dimethylacetamide
CID 81104419
N-methyl-2-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]acetamide
CID 83207683
5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 107912995
1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 104648401

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide?
The IUPAC name of N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide (CID 81104212) is N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide is CNC(=O)Cn1c2c(ccc1=O)C(NC)CCC2.
What is the InChIKey of N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide?
The InChIKey is UMORTUQSLKDOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-10-4-3-5-11-9(10)6-7-13(18)16(11)8-12(17)15-2/h6-7,10,14H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide?
N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(methylamino)-2-oxo-5,6,7,8-tetrahydroquinolin-1-yl]acetamide is sourced from PubChem (CID 81104212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).