2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide

C13H17N3O2 — CID 68898482

IUPAC2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)C(N)Cc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-15(2)12(17)8-16-11-6-4-3-5-9(11)7-10(14)13(16)18/h3-6,10H,7-8,14H2,1-2H3
InChIKeyVTCYVVAUYVZXPB-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.01
Rot. Bonds2

About 2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide

2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide (PubChem CID 68898482) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide
PubChem CID68898482
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C(=O)C(N)Cc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-15(2)12(17)8-16-11-6-4-3-5-9(11)7-10(14)13(16)18/h3-6,10H,7-8,14H2,1-2H3
InChIKeyVTCYVVAUYVZXPB-UHFFFAOYSA-N
XLogP-0.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide (CID 68898482) is 2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)C(N)Cc2ccccc21.
What is the InChIKey of 2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide?
The InChIKey is VTCYVVAUYVZXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15(2)12(17)8-16-11-6-4-3-5-9(11)7-10(14)13(16)18/h3-6,10H,7-8,14H2,1-2H3.
What are the key properties of 2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide?
2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide has a molecular weight of 247.30 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 68898482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).