2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide

C21H22N2O4 — CID 113102175

IUPAC2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide
SMILESCOc1ccc(CC(=O)NCCOc2ccc3ncccc3c2)cc1OC
InChIInChI=1S/C21H22N2O4/c1-25-19-8-5-15(12-20(19)26-2)13-21(24)23-10-11-27-17-6-7-18-16(14-17)4-3-9-22-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)
InChIKeyFFRPQRGMTOJYGV-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.99
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide

2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide (PubChem CID 113102175) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide
PubChem CID113102175
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide
SMILESCOc1ccc(CC(=O)NCCOc2ccc3ncccc3c2)cc1OC
InChIInChI=1S/C21H22N2O4/c1-25-19-8-5-15(12-20(19)26-2)13-21(24)23-10-11-27-17-6-7-18-16(14-17)4-3-9-22-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24)
InChIKeyFFRPQRGMTOJYGV-UHFFFAOYSA-N
XLogP2.99
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
N-(2-methoxyethyl)-2-quinolin-6-yloxyacetamide
CID 47453984
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide
CID 113102147
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813
1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
CID 112975863
2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102220
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 29349192

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide (CID 113102175) is 2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide is COc1ccc(CC(=O)NCCOc2ccc3ncccc3c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide?
The InChIKey is FFRPQRGMTOJYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-25-19-8-5-15(12-20(19)26-2)13-21(24)23-10-11-27-17-6-7-18-16(14-17)4-3-9-22-18/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide is sourced from PubChem (CID 113102175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).