7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide

C25H24N2O3S — CID 118689145

About 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide

7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 118689145) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

• Compound Name: 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
• PubChem CID: 118689145
• Molecular Formula: C25H24N2O3S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.15
• IUPAC Name: 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
• SMILES: CCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COC)cccc4n3)c(C)c12
• InChI: InChI=1S/C25H24N2O3S/c1-5-16-9-10-18(15(3)28)24-22(16)14(2)23(31-24)25(29)27-21-12-11-19-17(13-30-4)7-6-8-20(19)26-21/h6-12H,5,13H2,1-4H3,(H,26,27,29)
• InChIKey: AVFDUGDFALUXAT-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 68.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide?

The IUPAC name of 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide (CID 118689145) is 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide.

What is the SMILES notation for 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide?

The canonical SMILES for 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide is CCc1ccc(C(C)=O)c2sc(C(=O)Nc3ccc4c(COC)cccc4n3)c(C)c12.

What is the InChIKey of 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide?

The InChIKey is AVFDUGDFALUXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-5-16-9-10-18(15(3)28)24-22(16)14(2)23(31-24)25(29)27-21-12-11-19-17(13-30-4)7-6-8-20(19)26-21/h6-12H,5,13H2,1-4H3,(H,26,27,29).

What are the key properties of 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide?

7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-acetyl-4-ethyl-N-[5-(methoxymethyl)quinolin-2-yl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 118689145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).