N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide

C14H17N3O2 — CID 103017992

IUPACN-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C14H17N3O2/c1-14(2,19-3)13(18)17-11-7-6-10(15)12-9(11)5-4-8-16-12/h4-8H,15H2,1-3H3,(H,17,18)
InChIKeyVGHXNZFZDHYQBH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.18
Rot. Bonds3

About N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide

N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide (PubChem CID 103017992) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
PubChem CID103017992
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(N)c2ncccc12
InChIInChI=1S/C14H17N3O2/c1-14(2,19-3)13(18)17-11-7-6-10(15)12-9(11)5-4-8-16-12/h4-8H,15H2,1-3H3,(H,17,18)
InChIKeyVGHXNZFZDHYQBH-UHFFFAOYSA-N
XLogP2.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.18
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)-3-methoxy-3-methylbutanamide
CID 103017990
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
3-[(8-aminoquinolin-5-yl)amino]-2,2-dimethylpropanamide
CID 106275119
N-(8-aminoquinolin-5-yl)cyclopropanecarboxamide
CID 104826399
N-(8-aminoquinolin-5-yl)-1H-pyrazole-5-carboxamide
CID 104826490
N-(8-aminoquinolin-5-yl)-4-iodobenzamide
CID 104826395
N-(8-aminoquinolin-5-yl)-2-propylpentanamide
CID 104826496
N-(8-aminoquinolin-5-yl)-1H-pyrazole-4-carboxamide
CID 104826398
N-(8-aminoquinolin-5-yl)-5-methylthiophene-2-carboxamide
CID 104826414
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
N-(8-aminoquinolin-5-yl)-3-cyclopentylpropanamide
CID 104826466

Frequently Asked Questions

What is the IUPAC name of N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide (CID 103017992) is N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccc(N)c2ncccc12.
What is the InChIKey of N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is VGHXNZFZDHYQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,19-3)13(18)17-11-7-6-10(15)12-9(11)5-4-8-16-12/h4-8H,15H2,1-3H3,(H,17,18).
What are the key properties of N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide?
N-(8-aminoquinolin-5-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 2.18, 3 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)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103017992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).