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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Related Compounds

(3R)-3-amino-1-benzyl-3,4-dihydroquinolin-2-one
CID 178034232
3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 68901424
N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578
(2S)-N-[(3R,4S)-1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-4-phenyl-4,5-dihydro-3H-1-benzazepin-3-yl]-5-oxooxolane-2-carboxamide
CID 54055684
(3S)-3-amino-1-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-3,4-dihydroquinolin-2-one
CID 129384424
CID 142801731
CID 142801731
(3R)-3-amino-1-methyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 69196199
ethyl 2-(3-amino-2-oxo-4,5,6,7-tetrahydro-3H-1-benzazonin-1-yl)acetate
CID 13338733
3-amino-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3,4-dihydroquinolin-2-one
CID 58721822
3-amino-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 18612553
2-(3-amino-5-bromo-2-oxo-3H-indol-1-yl)-N,N-dimethylacetamide
CID 43255081
N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide
CID 146122799

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).