3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide

C13H15N3O2 — CID 60863326

IUPAC3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide
SMILESCC(COc1ccc(N)c2cccnc12)C(N)=O
InChIInChI=1S/C13H15N3O2/c1-8(13(15)17)7-18-11-5-4-10(14)9-3-2-6-16-12(9)11/h2-6,8H,7,14H2,1H3,(H2,15,17)
InChIKeyUFSAVAFVLKEBBC-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.32
Rot. Bonds4

About 3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide

3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide (PubChem CID 60863326) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide.

Molecular Properties

Compound Name3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide
PubChem CID60863326
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide
SMILESCC(COc1ccc(N)c2cccnc12)C(N)=O
InChIInChI=1S/C13H15N3O2/c1-8(13(15)17)7-18-11-5-4-10(14)9-3-2-6-16-12(9)11/h2-6,8H,7,14H2,1H3,(H2,15,17)
InChIKeyUFSAVAFVLKEBBC-UHFFFAOYSA-N
XLogP1.32
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.32
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

8-(2-methoxypropoxy)quinolin-5-amine
CID 113382666
2-(5-aminoquinolin-8-yl)oxy-N-(3-methylbutan-2-yl)acetamide
CID 61489515
2-(5-aminoquinolin-8-yl)oxy-N,N-dimethylpropanamide
CID 60865141
2-(5-aminoquinolin-8-yl)oxy-N,N-diethylpropanamide
CID 60863149
6-(5-aminoquinolin-8-yl)oxyhexan-1-ol
CID 107702002
2-(5-aminoquinolin-8-yl)oxy-N-cyclopropyl-N-methylacetamide
CID 61488649
3-(2-amino-5-methylphenoxy)-2-methylpropanamide
CID 43311815
3-(3-amino-2-methylphenoxy)-2-methylpropanamide
CID 43437797
8-(cyclopropylmethoxy)quinolin-5-amine
CID 43450315
2-(8-aminoquinolin-5-yl)oxyacetamide
CID 116524742
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
methyl 2-[8-(2-methylpropoxy)quinolin-5-yl]acetate
CID 96709843

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide?
The IUPAC name of 3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide (CID 60863326) is 3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide.
What is the SMILES notation for 3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide?
The canonical SMILES for 3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide is CC(COc1ccc(N)c2cccnc12)C(N)=O.
What is the InChIKey of 3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide?
The InChIKey is UFSAVAFVLKEBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(13(15)17)7-18-11-5-4-10(14)9-3-2-6-16-12(9)11/h2-6,8H,7,14H2,1H3,(H2,15,17).
What are the key properties of 3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide?
3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide has a molecular weight of 245.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminoquinolin-8-yl)oxy-2-methylpropanamide is sourced from PubChem (CID 60863326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).