3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C22H25N3O2S — CID 5162276

About 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 5162276) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
• PubChem CID: 5162276
• Molecular Formula: C22H25N3O2S
• Molecular Weight: 395.53 g/mol
• Exact Mass: 395.17
• IUPAC Name: 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
• SMILES: CCC1CCc2nc3sc(C(=O)NCc4ccc(OC)cc4)c(N)c3cc2C1
• InChI: InChI=1S/C22H25N3O2S/c1-3-13-6-9-18-15(10-13)11-17-19(23)20(28-22(17)25-18)21(26)24-12-14-4-7-16(27-2)8-5-14/h4-5,7-8,11,13H,3,6,9-10,12,23H2,1-2H3,(H,24,26)
• InChIKey: SPCYYTJUBFXBJV-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.53
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

The IUPAC name of 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 5162276) is 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

What is the SMILES notation for 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

The canonical SMILES for 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is CCC1CCc2nc3sc(C(=O)NCc4ccc(OC)cc4)c(N)c3cc2C1.

What is the InChIKey of 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

The InChIKey is SPCYYTJUBFXBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-3-13-6-9-18-15(10-13)11-17-19(23)20(28-22(17)25-18)21(26)24-12-14-4-7-16(27-2)8-5-14/h4-5,7-8,11,13H,3,6,9-10,12,23H2,1-2H3,(H,24,26).

What are the key properties of 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?

3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 5162276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).