5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione

C20H19N3O3S — CID 121026156

About 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione

5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 121026156) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
• PubChem CID: 121026156
• Molecular Formula: C20H19N3O3S
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.11
• IUPAC Name: 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
• SMILES: Cc1ccc2c(c1)CCCN2C(=O)c1c[nH]c(=O)n(Cc2cccs2)c1=O
• InChI: InChI=1S/C20H19N3O3S/c1-13-6-7-17-14(10-13)4-2-8-22(17)18(24)16-11-21-20(26)23(19(16)25)12-15-5-3-9-27-15/h3,5-7,9-11H,2,4,8,12H2,1H3,(H,21,26)
• InChIKey: DIUKGQIHQFMGIY-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 75.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 121026156) is 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione is Cc1ccc2c(c1)CCCN2C(=O)c1c[nH]c(=O)n(Cc2cccs2)c1=O.

What is the InChIKey of 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?

The InChIKey is DIUKGQIHQFMGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-6-7-17-14(10-13)4-2-8-22(17)18(24)16-11-21-20(26)23(19(16)25)12-15-5-3-9-27-15/h3,5-7,9-11H,2,4,8,12H2,1H3,(H,21,26).

What are the key properties of 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione?

5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 381.46 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121026156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).