2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide

C14H18N4O — CID 43809689

IUPAC2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccc2ncccc2c1N
InChIInChI=1S/C14H18N4O/c1-17(2)13(19)9-18(3)12-7-6-11-10(14(12)15)5-4-8-16-11/h4-8H,9,15H2,1-3H3
InChIKeyJTENUOJXXYHRIP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds3

About 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide

2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide (PubChem CID 43809689) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
PubChem CID43809689
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1ccc2ncccc2c1N
InChIInChI=1S/C14H18N4O/c1-17(2)13(19)9-18(3)12-7-6-11-10(14(12)15)5-4-8-16-11/h4-8H,9,15H2,1-3H3
InChIKeyJTENUOJXXYHRIP-UHFFFAOYSA-N
XLogP1.34
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
CID 43809516
6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
CID 61415486
2-[(5-amino-7-fluoroquinolin-8-yl)-methylamino]-N,N-dimethylacetamide
CID 83165325
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
CID 105414166
6-N-methoxy-6-N-methylquinoline-5,6-diamine
CID 43809762
6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
CID 43809487
6-N-methyl-6-N-(3-methylbutan-2-yl)quinoline-5,6-diamine
CID 43809730
6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine
CID 55001292
2-[(8-aminoisoquinolin-5-yl)-methylamino]-N,N-dimethylacetamide
CID 43448835
2-[methyl-(5-nitroquinolin-6-yl)amino]acetic acid
CID 43809826
6-N-ethyl-6-N-phenylquinoline-5,6-diamine
CID 43809497
2-[(5-aminoquinolin-6-yl)-methylamino]cyclohexan-1-ol
CID 102631412

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide (CID 43809689) is 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1ccc2ncccc2c1N.
What is the InChIKey of 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide?
The InChIKey is JTENUOJXXYHRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)13(19)9-18(3)12-7-6-11-10(14(12)15)5-4-8-16-11/h4-8H,9,15H2,1-3H3.
What are the key properties of 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide?
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43809689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).