1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide

C19H15N5O3S — CID 162650003

About 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide

1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (PubChem CID 162650003) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
• PubChem CID: 162650003
• Molecular Formula: C19H15N5O3S
• Molecular Weight: 393.43 g/mol
• Exact Mass: 393.09
• IUPAC Name: 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
• SMILES: CCn1c(=O)c(C(=O)Nc2nnc(-c3ccccn3)s2)c(O)c2ccccc21
• InChI: InChI=1S/C19H15N5O3S/c1-2-24-13-9-4-3-7-11(13)15(25)14(18(24)27)16(26)21-19-23-22-17(28-19)12-8-5-6-10-20-12/h3-10,25H,2H2,1H3,(H,21,23,26)
• InChIKey: HFLBNOOUOIIQNC-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 110.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.43
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?

The IUPAC name of 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (CID 162650003) is 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.

What is the SMILES notation for 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?

The canonical SMILES for 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2nnc(-c3ccccn3)s2)c(O)c2ccccc21.

What is the InChIKey of 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?

The InChIKey is HFLBNOOUOIIQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-2-24-13-9-4-3-7-11(13)15(25)14(18(24)27)16(26)21-19-23-22-17(28-19)12-8-5-6-10-20-12/h3-10,25H,2H2,1H3,(H,21,23,26).

What are the key properties of 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?

1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 162650003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).