N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide

C27H26N2O4 — CID 1459213

IUPACN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)c3ccccc3)cc2c1
InChIInChI=1S/C27H26N2O4/c1-3-33-23-13-14-24-21(16-23)15-22(26(30)28-24)18-29(27(31)19-9-5-4-6-10-19)17-20-11-7-8-12-25(20)32-2/h4-16H,3,17-18H2,1-2H3,(H,28,30)
InChIKeyNBVKMLWDRJOKOI-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.78
Rot. Bonds8

About N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide

N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 1459213) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID1459213
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)c3ccccc3)cc2c1
InChIInChI=1S/C27H26N2O4/c1-3-33-23-13-14-24-21(16-23)15-22(26(30)28-24)18-29(27(31)19-9-5-4-6-10-19)17-20-11-7-8-12-25(20)32-2/h4-16H,3,17-18H2,1-2H3,(H,28,30)
InChIKeyNBVKMLWDRJOKOI-UHFFFAOYSA-N
XLogP4.78
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide (CID 1459213) is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide is CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)c3ccccc3)cc2c1.
What is the InChIKey of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is NBVKMLWDRJOKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-3-33-23-13-14-24-21(16-23)15-22(26(30)28-24)18-29(27(31)19-9-5-4-6-10-19)17-20-11-7-8-12-25(20)32-2/h4-16H,3,17-18H2,1-2H3,(H,28,30).
What are the key properties of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide?
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 1459213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).