4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide

C20H21N3O3S — CID 55873910

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide (PubChem CID 55873910) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide.

Molecular Properties

• Compound Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
• PubChem CID: 55873910
• Molecular Formula: C20H21N3O3S
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.13
• IUPAC Name: 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
• SMILES: O=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C20H21N3O3S/c24-18(21-15-2-3-16-13(11-15)1-4-19(25)22-16)5-6-20(26)23-9-7-17-14(12-23)8-10-27-17/h2-3,8,10-11H,1,4-7,9,12H2,(H,21,24)(H,22,25)
• InChIKey: NBAIHRXWPVVVIV-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 78.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?

The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide (CID 55873910) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide.

What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?

The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide is O=C(CCC(=O)N1CCc2sccc2C1)Nc1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?

The InChIKey is NBAIHRXWPVVVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-18(21-15-2-3-16-13(11-15)1-4-19(25)22-16)5-6-20(26)23-9-7-17-14(12-23)8-10-27-17/h2-3,8,10-11H,1,4-7,9,12H2,(H,21,24)(H,22,25).

What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide has a molecular weight of 383.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide is sourced from PubChem (CID 55873910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).