(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C24H28N4O2S — CID 23999169

About (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 23999169) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
• PubChem CID: 23999169
• Molecular Formula: C24H28N4O2S
• Molecular Weight: 436.58 g/mol
• Exact Mass: 436.19
• IUPAC Name: (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
• SMILES: COc1ccc(N2CCN(C(=O)c3sc4nc5c(cc4c3N)CC(C)CC5)CC2)cc1
• InChI: InChI=1S/C24H28N4O2S/c1-15-3-8-20-16(13-15)14-19-21(25)22(31-23(19)26-20)24(29)28-11-9-27(10-12-28)17-4-6-18(30-2)7-5-17/h4-7,14-15H,3,8-13,25H2,1-2H3
• InChIKey: AVIDUDRALFCRCO-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 71.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.58
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?

The IUPAC name of (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 23999169) is (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

What is the SMILES notation for (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?

The canonical SMILES for (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3sc4nc5c(cc4c3N)CC(C)CC5)CC2)cc1.

What is the InChIKey of (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?

The InChIKey is AVIDUDRALFCRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-15-3-8-20-16(13-15)14-19-21(25)22(31-23(19)26-20)24(29)28-11-9-27(10-12-28)17-4-6-18(30-2)7-5-17/h4-7,14-15H,3,8-13,25H2,1-2H3.

What are the key properties of (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?

(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 436.58 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 23999169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).