N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide

C15H19N3O2 — CID 103017990

IUPACN-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C15H19N3O2/c1-15(2,20-3)9-13(19)18-12-7-6-11(16)14-10(12)5-4-8-17-14/h4-8H,9,16H2,1-3H3,(H,18,19)
InChIKeyQAMYOQASGWOOQS-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.57
Rot. Bonds4

About N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide

N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide (PubChem CID 103017990) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
PubChem CID103017990
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C15H19N3O2/c1-15(2,20-3)9-13(19)18-12-7-6-11(16)14-10(12)5-4-8-17-14/h4-8H,9,16H2,1-3H3,(H,18,19)
InChIKeyQAMYOQASGWOOQS-UHFFFAOYSA-N
XLogP2.57
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
CID 103017992
N-(8-aminoquinolin-5-yl)-3-cyclopentylpropanamide
CID 104826466
2-[(2-methylpropan-2-yl)oxy]-N-(8-methylquinolin-5-yl)acetamide
CID 115949975
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334
N-(8-aminoquinolin-5-yl)-3-(furan-2-yl)propanamide
CID 104826392
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
N-(8-aminoquinolin-5-yl)-1H-pyrazole-5-carboxamide
CID 104826490

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide (CID 103017990) is N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)Nc1ccc(N)c2ncccc12.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide?
The InChIKey is QAMYOQASGWOOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,20-3)9-13(19)18-12-7-6-11(16)14-10(12)5-4-8-17-14/h4-8H,9,16H2,1-3H3,(H,18,19).
What are the key properties of N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide?
N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide has a molecular weight of 273.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-aminoquinolin-5-yl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103017990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).