N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

C25H26N4O2S — CID 110259862

About N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110259862) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 110259862
• Molecular Formula: C25H26N4O2S
• Molecular Weight: 446.58 g/mol
• Exact Mass: 446.18
• IUPAC Name: N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: CC(C)NC(=O)c1sc2ncccc2c1C1CN(Cc2cccc3cccnc23)CCO1
• InChI: InChI=1S/C25H26N4O2S/c1-16(2)28-24(30)23-21(19-9-5-11-27-25(19)32-23)20-15-29(12-13-31-20)14-18-7-3-6-17-8-4-10-26-22(17)18/h3-11,16,20H,12-15H2,1-2H3,(H,28,30)
• InChIKey: OILFKRATBLECJS-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.58
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 110259862) is N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is CC(C)NC(=O)c1sc2ncccc2c1C1CN(Cc2cccc3cccnc23)CCO1.

What is the InChIKey of N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is OILFKRATBLECJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-16(2)28-24(30)23-21(19-9-5-11-27-25(19)32-23)20-15-29(12-13-31-20)14-18-7-3-6-17-8-4-10-26-22(17)18/h3-11,16,20H,12-15H2,1-2H3,(H,28,30).

What are the key properties of N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide?

N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-3-[4-(quinolin-8-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110259862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).