3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide

C14H21N3O — CID 60972396

IUPAC3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCCc2c(N)cccc21
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)8-10-17-9-4-5-11-12(15)6-3-7-13(11)17/h3,6-7H,4-5,8-10,15H2,1-2H3
InChIKeyKXQDMJXISVUSMP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.50
Rot. Bonds3

About 3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide

3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide (PubChem CID 60972396) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide
PubChem CID60972396
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCN1CCCc2c(N)cccc21
InChIInChI=1S/C14H21N3O/c1-16(2)14(18)8-10-17-9-4-5-11-12(15)6-3-7-13(11)17/h3,6-7H,4-5,8-10,15H2,1-2H3
InChIKeyKXQDMJXISVUSMP-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 61489284
1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 54881503
1-butyl-3,4-dihydro-2H-quinolin-5-amine
CID 60972612
1-[2-(diethylamino)ethyl]-3,4-dihydro-2H-quinolin-5-amine
CID 60971754
1-(3-methylsulfanylpropyl)-3,4-dihydro-2H-quinolin-5-amine
CID 115777493
1-[2-(dimethylamino)-2-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 54926085
1-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 82705126
2-[2-(5-amino-3,4-dihydro-2H-quinolin-1-yl)ethoxy]propanenitrile
CID 114266629
1-[3-(2,2,2-trifluoroethoxy)propyl]-3,4-dihydro-2H-quinolin-5-amine
CID 61491630
1-[(5-amino-3,4-dihydro-2H-quinolin-1-yl)methyl]cyclopentan-1-ol
CID 65212762
1-(4-amino-2,3-dihydroindol-1-yl)-2-(dimethylamino)ethanone
CID 165447827
3-(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-N,N-dimethylpropanamide
CID 77033749

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide (CID 60972396) is 3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CCN1CCCc2c(N)cccc21.
What is the InChIKey of 3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide?
The InChIKey is KXQDMJXISVUSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16(2)14(18)8-10-17-9-4-5-11-12(15)6-3-7-13(11)17/h3,6-7H,4-5,8-10,15H2,1-2H3.
What are the key properties of 3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide?
3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide has a molecular weight of 247.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 60972396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).