N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C24H22N4O3S — CID 127248314

About N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 127248314) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 127248314
• Molecular Formula: C24H22N4O3S
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.14
• IUPAC Name: N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: O=C(NCCO)c1sc2ncccc2c1C1CCN(C(=O)c2ccc3ncccc3c2)C1
• InChI: InChI=1S/C24H22N4O3S/c29-12-10-26-22(30)21-20(18-4-2-9-27-23(18)32-21)17-7-11-28(14-17)24(31)16-5-6-19-15(13-16)3-1-8-25-19/h1-6,8-9,13,17,29H,7,10-12,14H2,(H,26,30)
• InChIKey: CPXPLRHVIXVDET-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 95.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 127248314) is N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is O=C(NCCO)c1sc2ncccc2c1C1CCN(C(=O)c2ccc3ncccc3c2)C1.

What is the InChIKey of N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is CPXPLRHVIXVDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c29-12-10-26-22(30)21-20(18-4-2-9-27-23(18)32-21)17-7-11-28(14-17)24(31)16-5-6-19-15(13-16)3-1-8-25-19/h1-6,8-9,13,17,29H,7,10-12,14H2,(H,26,30).

What are the key properties of N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?

N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-3-[1-(quinoline-6-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 127248314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).