N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C23H28N2O5 — CID 56560160

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56560160) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56560160
• Molecular Formula: C23H28N2O5
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.20
• IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O
• InChI: InChI=1S/C23H28N2O5/c1-6-25(13-14-7-8-19(29-4)20(9-14)30-5)22(28)16-10-15-17(24-21(16)27)11-23(2,3)12-18(15)26/h7-10H,6,11-13H2,1-5H3,(H,24,27)
• InChIKey: WVCKQJRDPVXBIQ-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 88.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56560160) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O.

What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The InChIKey is WVCKQJRDPVXBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-6-25(13-14-7-8-19(29-4)20(9-14)30-5)22(28)16-10-15-17(24-21(16)27)11-23(2,3)12-18(15)26/h7-10H,6,11-13H2,1-5H3,(H,24,27).

What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56560160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).