N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

C26H21N3O4S — CID 59813538

About N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 59813538) has the molecular formula C26H21N3O4S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
• PubChem CID: 59813538
• Molecular Formula: C26H21N3O4S
• Molecular Weight: 471.54 g/mol
• Exact Mass: 471.13
• IUPAC Name: N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
• SMILES: COc1cc2nccc(Oc3ccc4cc(NC(=O)c5csc(C)n5)ccc4c3)c2cc1OC
• InChI: InChI=1S/C26H21N3O4S/c1-15-28-22(14-34-15)26(30)29-18-6-4-17-11-19(7-5-16(17)10-18)33-23-8-9-27-21-13-25(32-3)24(31-2)12-20(21)23/h4-14H,1-3H3,(H,29,30)
• InChIKey: WSOWQZAJGYQYJX-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.54
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 59813538) is N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is COc1cc2nccc(Oc3ccc4cc(NC(=O)c5csc(C)n5)ccc4c3)c2cc1OC.

What is the InChIKey of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?

The InChIKey is WSOWQZAJGYQYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O4S/c1-15-28-22(14-34-15)26(30)29-18-6-4-17-11-19(7-5-16(17)10-18)33-23-8-9-27-21-13-25(32-3)24(31-2)12-20(21)23/h4-14H,1-3H3,(H,29,30).

What are the key properties of N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?

N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59813538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).