N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide

C23H28N2O6 — CID 16764481

IUPACN-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide
SMILESCOc1cc(C(=O)N2CCCc3cccc(OCCNC(C)=O)c32)cc(OC)c1OC
InChIInChI=1S/C23H28N2O6/c1-15(26)24-10-12-31-18-9-5-7-16-8-6-11-25(21(16)18)23(27)17-13-19(28-2)22(30-4)20(14-17)29-3/h5,7,9,13-14H,6,8,10-12H2,1-4H3,(H,24,26)
InChIKeyASXFZLSENPKCJI-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.82
Rot. Bonds8

About N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide

N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide (PubChem CID 16764481) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide
PubChem CID16764481
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC NameN-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide
SMILESCOc1cc(C(=O)N2CCCc3cccc(OCCNC(C)=O)c32)cc(OC)c1OC
InChIInChI=1S/C23H28N2O6/c1-15(26)24-10-12-31-18-9-5-7-16-8-6-11-25(21(16)18)23(27)17-13-19(28-2)22(30-4)20(14-17)29-3/h5,7,9,13-14H,6,8,10-12H2,1-4H3,(H,24,26)
InChIKeyASXFZLSENPKCJI-UHFFFAOYSA-N
XLogP2.82
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide?
The IUPAC name of N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide (CID 16764481) is N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide?
The canonical SMILES for N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide is COc1cc(C(=O)N2CCCc3cccc(OCCNC(C)=O)c32)cc(OC)c1OC.
What is the InChIKey of N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide?
The InChIKey is ASXFZLSENPKCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-15(26)24-10-12-31-18-9-5-7-16-8-6-11-25(21(16)18)23(27)17-13-19(28-2)22(30-4)20(14-17)29-3/h5,7,9,13-14H,6,8,10-12H2,1-4H3,(H,24,26).
What are the key properties of N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide?
N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 16764481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).