2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide

C24H24N2O3 — CID 56534852

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
SMILESCc1cc2occ(CC(=O)NCCCOc3cccc4cccnc34)c2cc1C
InChIInChI=1S/C24H24N2O3/c1-16-12-20-19(15-29-22(20)13-17(16)2)14-23(27)25-10-5-11-28-21-8-3-6-18-7-4-9-26-24(18)21/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,25,27)
InChIKeyDGYZKXYXEGGDFL-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.73
Rot. Bonds7

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide (PubChem CID 56534852) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
PubChem CID56534852
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
SMILESCc1cc2occ(CC(=O)NCCCOc3cccc4cccnc34)c2cc1C
InChIInChI=1S/C24H24N2O3/c1-16-12-20-19(15-29-22(20)13-17(16)2)14-23(27)25-10-5-11-28-21-8-3-6-18-7-4-9-26-24(18)21/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,25,27)
InChIKeyDGYZKXYXEGGDFL-UHFFFAOYSA-N
XLogP4.73
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
CID 131938467
N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 35518370
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56585733
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56544237
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
5-methyl-1-(3-methylphenyl)-N-(3-quinolin-8-yloxypropyl)triazole-4-carboxamide
CID 56585569
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide (CID 56534852) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide is Cc1cc2occ(CC(=O)NCCCOc3cccc4cccnc34)c2cc1C.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide?
The InChIKey is DGYZKXYXEGGDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-12-20-19(15-29-22(20)13-17(16)2)14-23(27)25-10-5-11-28-21-8-3-6-18-7-4-9-26-24(18)21/h3-4,6-9,12-13,15H,5,10-11,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3-quinolin-8-yloxypropyl)acetamide is sourced from PubChem (CID 56534852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).