2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide

C15H19N3O3 — CID 106236592

IUPAC2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
SMILESCOc1cccc2ccc(CNCCOCC(N)=O)nc12
InChIInChI=1S/C15H19N3O3/c1-20-13-4-2-3-11-5-6-12(18-15(11)13)9-17-7-8-21-10-14(16)19/h2-6,17H,7-10H2,1H3,(H2,16,19)
InChIKeyBFXKZIULKVEBJA-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.83
Rot. Bonds8

About 2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide

2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide (PubChem CID 106236592) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
PubChem CID106236592
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide
SMILESCOc1cccc2ccc(CNCCOCC(N)=O)nc12
InChIInChI=1S/C15H19N3O3/c1-20-13-4-2-3-11-5-6-12(18-15(11)13)9-17-7-8-21-10-14(16)19/h2-6,17H,7-10H2,1H3,(H2,16,19)
InChIKeyBFXKZIULKVEBJA-UHFFFAOYSA-N
XLogP0.83
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(8-methoxyquinolin-2-yl)methylamino]oxyacetamide
CID 112673314
2-[(8-methoxyquinolin-2-yl)methylamino]ethanesulfonamide
CID 80702043
5-[(8-methoxyquinolin-2-yl)methylamino]pentan-1-ol
CID 107316801
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235488
2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
CID 114162139
N-[(8-methoxyquinolin-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 80701789
2-[2-[(2-methylpyrimidin-4-yl)methylamino]ethoxy]acetamide
CID 106236339
2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
CID 106235776
2-[2-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]ethoxy]acetamide
CID 106235526
2-methoxy-N-[(8-methoxyquinolin-2-yl)methyl]-2-methylpropan-1-amine
CID 104759612
2,2-difluoro-3-[(8-methoxyquinolin-2-yl)methylamino]propan-1-ol
CID 106173051
N-[2-(8-methoxyquinolin-2-yl)ethyl]propan-1-amine
CID 80703316

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide (CID 106236592) is 2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide is COc1cccc2ccc(CNCCOCC(N)=O)nc12.
What is the InChIKey of 2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide?
The InChIKey is BFXKZIULKVEBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-13-4-2-3-11-5-6-12(18-15(11)13)9-17-7-8-21-10-14(16)19/h2-6,17H,7-10H2,1H3,(H2,16,19).
What are the key properties of 2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide?
2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(8-methoxyquinolin-2-yl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106236592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).