2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride

C24H19ClF4N4O4 — CID 137001512

About 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride

2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride (PubChem CID 137001512) has the molecular formula C24H19ClF4N4O4 and a molecular weight of 538.89 g/mol. Its IUPAC name is 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride
• PubChem CID: 137001512
• Molecular Formula: C24H19ClF4N4O4
• Molecular Weight: 538.89 g/mol
• Exact Mass: 538.10
• IUPAC Name: 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride
• SMILES: COc1cc2nc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cnc2cc1O.Cl
• InChI: InChI=1S/C24H18F4N4O4.ClH/c1-35-19-9-16-15(8-18(19)33)29-11-17(30-16)13-3-2-12(14(25)6-13)7-22(34)31-21-10-20(36-32-21)23(4-5-23)24(26,27)28;/h2-3,6,8-11,33H,4-5,7H2,1H3,(H,31,32,34);1H
• InChIKey: VURZCCBGTCBJBH-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 110.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.89
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride?

The IUPAC name of 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride (CID 137001512) is 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride.

What is the SMILES notation for 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride?

The canonical SMILES for 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride is COc1cc2nc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cnc2cc1O.Cl.

What is the InChIKey of 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride?

The InChIKey is VURZCCBGTCBJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O4.ClH/c1-35-19-9-16-15(8-18(19)33)29-11-17(30-16)13-3-2-12(14(25)6-13)7-22(34)31-21-10-20(36-32-21)23(4-5-23)24(26,27)28;/h2-3,6,8-11,33H,4-5,7H2,1H3,(H,31,32,34);1H.

What are the key properties of 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride?

2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride has a molecular weight of 538.89 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 137001512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).