N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide

C31H34N2O5 — CID 1458827

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide (PubChem CID 1458827) has the molecular formula C31H34N2O5 and a molecular weight of 514.62 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide
• PubChem CID: 1458827
• Molecular Formula: C31H34N2O5
• Molecular Weight: 514.62 g/mol
• Exact Mass: 514.25
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide
• SMILES: CCOc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1
• InChI: InChI=1S/C31H34N2O5/c1-6-38-25-12-10-23(11-13-25)31(35)33(16-15-22-9-14-27(36-4)28(17-22)37-5)19-24-18-26-20(2)7-8-21(3)29(26)32-30(24)34/h7-14,17-18H,6,15-16,19H2,1-5H3,(H,32,34)
• InChIKey: UWXBWSSIZYGWGZ-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 80.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.62
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide (CID 1458827) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide?

The InChIKey is UWXBWSSIZYGWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O5/c1-6-38-25-12-10-23(11-13-25)31(35)33(16-15-22-9-14-27(36-4)28(17-22)37-5)19-24-18-26-20(2)7-8-21(3)29(26)32-30(24)34/h7-14,17-18H,6,15-16,19H2,1-5H3,(H,32,34).

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide has a molecular weight of 514.62 g/mol, XLogP of 5.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-ethoxybenzamide is sourced from PubChem (CID 1458827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).