N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C23H17N3O2S — CID 43038245

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 43038245) has the molecular formula C23H17N3O2S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 43038245
• Molecular Formula: C23H17N3O2S
• Molecular Weight: 399.48 g/mol
• Exact Mass: 399.10
• IUPAC Name: N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: O=C1CC(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2N1
• InChI: InChI=1S/C23H17N3O2S/c27-21-12-18(17-7-3-4-8-19(17)24-21)22(28)26-23-25-20(13-29-23)16-10-9-14-5-1-2-6-15(14)11-16/h1-11,13,18H,12H2,(H,24,27)(H,25,26,28)
• InChIKey: PNMNJRISKZYTJV-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.48
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 43038245) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c2ccccc2N1.

What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

The InChIKey is PNMNJRISKZYTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2S/c27-21-12-18(17-7-3-4-8-19(17)24-21)22(28)26-23-25-20(13-29-23)16-10-9-14-5-1-2-6-15(14)11-16/h1-11,13,18H,12H2,(H,24,27)(H,25,26,28).

What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 5.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 43038245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).