3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide

C28H30N6OS — CID 108726768

About 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide

3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 108726768) has the molecular formula C28H30N6OS and a molecular weight of 498.66 g/mol. Its IUPAC name is 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
• PubChem CID: 108726768
• Molecular Formula: C28H30N6OS
• Molecular Weight: 498.66 g/mol
• Exact Mass: 498.22
• IUPAC Name: 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
• SMILES: Cc1nc(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)sc1CN1CCC(C)CC1
• InChI: InChI=1S/C28H30N6OS/c1-18-11-14-33(15-12-18)17-24-19(2)29-28(36-24)32-25(35)13-16-34-23-10-6-3-7-20(23)26-27(34)31-22-9-5-4-8-21(22)30-26/h3-10,18H,11-17H2,1-2H3,(H,29,32,35)
• InChIKey: PFKIIFPWZAZJSX-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.66
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide (CID 108726768) is 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide is Cc1nc(NC(=O)CCn2c3ccccc3c3nc4ccccc4nc32)sc1CN1CCC(C)CC1.

What is the InChIKey of 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?

The InChIKey is PFKIIFPWZAZJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6OS/c1-18-11-14-33(15-12-18)17-24-19(2)29-28(36-24)32-25(35)13-16-34-23-10-6-3-7-20(23)26-27(34)31-22-9-5-4-8-21(22)30-26/h3-10,18H,11-17H2,1-2H3,(H,29,32,35).

What are the key properties of 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide?

3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 498.66 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-indolo[3,2-b]quinoxalin-6-yl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 108726768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).