N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide

C26H26N2O3 — CID 16926877

IUPACN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1
InChIInChI=1S/C26H26N2O3/c1-2-31-23-12-8-19(9-13-23)16-25(29)27-22-11-14-24-21(17-22)10-15-26(30)28(24)18-20-6-4-3-5-7-20/h3-9,11-14,17H,2,10,15-16,18H2,1H3,(H,27,29)
InChIKeyBOCFUMKVGDEQGS-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.75
Rot. Bonds7

About N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide

N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide (PubChem CID 16926877) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide
PubChem CID16926877
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1
InChIInChI=1S/C26H26N2O3/c1-2-31-23-12-8-19(9-13-23)16-25(29)27-22-11-14-24-21(17-22)10-15-26(30)28(24)18-20-6-4-3-5-7-20/h3-9,11-14,17H,2,10,15-16,18H2,1H3,(H,27,29)
InChIKeyBOCFUMKVGDEQGS-UHFFFAOYSA-N
XLogP4.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide (CID 16926877) is N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1.
What is the InChIKey of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide?
The InChIKey is BOCFUMKVGDEQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-2-31-23-12-8-19(9-13-23)16-25(29)27-22-11-14-24-21(17-22)10-15-26(30)28(24)18-20-6-4-3-5-7-20/h3-9,11-14,17H,2,10,15-16,18H2,1H3,(H,27,29).
What are the key properties of N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide?
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 16926877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).