3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide

C14H18N4O — CID 106275119

IUPAC3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ccc(N)c2ncccc12)C(N)=O
InChIInChI=1S/C14H18N4O/c1-14(2,13(16)19)8-18-11-6-5-10(15)12-9(11)4-3-7-17-12/h3-7,18H,8,15H2,1-2H3,(H2,16,19)
InChIKeyUTYHBCQBBBBXMP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds4

About 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide

3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106275119) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
PubChem CID106275119
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ccc(N)c2ncccc12)C(N)=O
InChIInChI=1S/C14H18N4O/c1-14(2,13(16)19)8-18-11-6-5-10(15)12-9(11)4-3-7-17-12/h3-7,18H,8,15H2,1-2H3,(H2,16,19)
InChIKeyUTYHBCQBBBBXMP-UHFFFAOYSA-N
XLogP1.74
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide 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

3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
5-[(8-aminoquinolin-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141173
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992
N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
CID 103017990
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
CID 107151067
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
1-[(5-aminoquinolin-8-yl)amino]-2-methylbutan-2-ol
CID 65103110
3-[[(8-aminoquinolin-4-yl)amino]methyl]pentan-3-ol
CID 83060238
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496

Frequently Asked Questions

What is the IUPAC name of 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide (CID 106275119) is 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1ccc(N)c2ncccc12)C(N)=O.
What is the InChIKey of 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is UTYHBCQBBBBXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,13(16)19)8-18-11-6-5-10(15)12-9(11)4-3-7-17-12/h3-7,18H,8,15H2,1-2H3,(H2,16,19).
What are the key properties of 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide?
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106275119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).