2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C34H23F4N3O4S — CID 58263485

About 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 58263485) has the molecular formula C34H23F4N3O4S and a molecular weight of 645.63 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 58263485
• Molecular Formula: C34H23F4N3O4S
• Molecular Weight: 645.63 g/mol
• Exact Mass: 645.13
• IUPAC Name: 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
• SMILES: COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(NC(=O)c6cnc(F)s6)c(C(F)(F)F)c5)cccc34)ccnc2cc1C
• InChI: InChI=1S/C34H23F4N3O4S/c1-18-13-26-23(16-30(18)44-2)29(11-12-39-26)45-28-8-4-5-20-21(6-3-7-22(20)28)27(42)15-19-9-10-25(24(14-19)34(36,37)38)41-32(43)31-17-40-33(35)46-31/h3-14,16-17H,15H2,1-2H3,(H,41,43)
• InChIKey: UANBGQPOTSMCNH-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 90.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.63
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 58263485) is 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is COc1cc2c(Oc3cccc4c(C(=O)Cc5ccc(NC(=O)c6cnc(F)s6)c(C(F)(F)F)c5)cccc34)ccnc2cc1C.

What is the InChIKey of 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The InChIKey is UANBGQPOTSMCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23F4N3O4S/c1-18-13-26-23(16-30(18)44-2)29(11-12-39-26)45-28-8-4-5-20-21(6-3-7-22(20)28)27(42)15-19-9-10-25(24(14-19)34(36,37)38)41-32(43)31-17-40-33(35)46-31/h3-14,16-17H,15H2,1-2H3,(H,41,43).

What are the key properties of 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 645.63 g/mol, XLogP of 8.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58263485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).