2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C20H19N3O2S — CID 23832831

About 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 23832831) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• PubChem CID: 23832831
• Molecular Formula: C20H19N3O2S
• Molecular Weight: 365.46 g/mol
• Exact Mass: 365.12
• IUPAC Name: 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
• SMILES: CC1=C(C(=O)Nc2cccnc2)C(c2cccs2)C2=C(CCCC2=O)N1
• InChI: InChI=1S/C20H19N3O2S/c1-12-17(20(25)23-13-5-3-9-21-11-13)19(16-8-4-10-26-16)18-14(22-12)6-2-7-15(18)24/h3-5,8-11,19,22H,2,6-7H2,1H3,(H,23,25)
• InChIKey: JSXXQXZRVNPVPX-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.46
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The IUPAC name of 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 23832831) is 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The canonical SMILES for 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cccnc2)C(c2cccs2)C2=C(CCCC2=O)N1.

What is the InChIKey of 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

The InChIKey is JSXXQXZRVNPVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-12-17(20(25)23-13-5-3-9-21-11-13)19(16-8-4-10-26-16)18-14(22-12)6-2-7-15(18)24/h3-5,8-11,19,22H,2,6-7H2,1H3,(H,23,25).

What are the key properties of 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?

2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-oxo-N-pyridin-3-yl-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 23832831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).