2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide

C13H16N4O — CID 103962855

IUPAC2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1c(N)cnc2ccccc12
InChIInChI=1S/C13H16N4O/c1-15-12(18)8-17(2)13-9-5-3-4-6-11(9)16-7-10(13)14/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyRAJIUFLNWBGQHI-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.00
Rot. Bonds3

About 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide

2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide (PubChem CID 103962855) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
PubChem CID103962855
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1c(N)cnc2ccccc12
InChIInChI=1S/C13H16N4O/c1-15-12(18)8-17(2)13-9-5-3-4-6-11(9)16-7-10(13)14/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKeyRAJIUFLNWBGQHI-UHFFFAOYSA-N
XLogP1.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide 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

2-[(3-amino-6-bromoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 43621315
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088
4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
CID 113359417
4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
CID 113359409
4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
CID 103962883
3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
CID 103962717
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine
CID 103962894
2-[(3-amino-6-bromoquinolin-4-yl)-ethylamino]-N-methylacetamide
CID 43621357
methyl 2-[(3-carbamothioylquinolin-4-yl)-methylamino]acetate
CID 43669616
2-[(3-carbamoylquinolin-4-yl)-methylamino]acetic acid
CID 43669305
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106914487
4-[ethyl(methyl)amino]quinoline-3-carboxylic acid
CID 61340798

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide (CID 103962855) is 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1c(N)cnc2ccccc12.
What is the InChIKey of 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide?
The InChIKey is RAJIUFLNWBGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-15-12(18)8-17(2)13-9-5-3-4-6-11(9)16-7-10(13)14/h3-7H,8,14H2,1-2H3,(H,15,18).
What are the key properties of 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide?
2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide has a molecular weight of 244.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 103962855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).