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

C15H20N4O — CID 106275334

IUPAC3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccc(N)c2ncccc12
InChIInChI=1S/C15H20N4O/c1-15(2,14(20)17-3)9-19-12-7-6-11(16)13-10(12)5-4-8-18-13/h4-8,19H,9,16H2,1-3H3,(H,17,20)
InChIKeySQARVPUVRFSXSJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.00
Rot. Bonds4

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

3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106275334) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106275334
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1ccc(N)c2ncccc12
InChIInChI=1S/C15H20N4O/c1-15(2,14(20)17-3)9-19-12-7-6-11(16)13-10(12)5-4-8-18-13/h4-8,19H,9,16H2,1-3H3,(H,17,20)
InChIKeySQARVPUVRFSXSJ-UHFFFAOYSA-N
XLogP2.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119
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-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138
N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide
CID 103823304
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
1-[(8-aminoquinolin-5-yl)amino]-4-methylpentan-2-ol
CID 107151067
4-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 114167709

Frequently Asked Questions

What is the IUPAC name of 3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide (CID 106275334) is 3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1ccc(N)c2ncccc12.
What is the InChIKey of 3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is SQARVPUVRFSXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(2,14(20)17-3)9-19-12-7-6-11(16)13-10(12)5-4-8-18-13/h4-8,19H,9,16H2,1-3H3,(H,17,20).
What are the key properties of 3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide?
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.00, 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]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).