2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide

C25H25F3N4O4 — CID 67267856

About 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide

2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide (PubChem CID 67267856) has the molecular formula C25H25F3N4O4 and a molecular weight of 502.49 g/mol. Its IUPAC name is 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

• Compound Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide
• PubChem CID: 67267856
• Molecular Formula: C25H25F3N4O4
• Molecular Weight: 502.49 g/mol
• Exact Mass: 502.18
• IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide
• SMILES: CCCC(Oc1ccc2ccnc(N)c2c1)C(=O)Nc1ccc(N2CCOCC2=O)c(C(F)(F)F)c1
• InChI: InChI=1S/C25H25F3N4O4/c1-2-3-21(36-17-6-4-15-8-9-30-23(29)18(15)13-17)24(34)31-16-5-7-20(19(12-16)25(26,27)28)32-10-11-35-14-22(32)33/h4-9,12-13,21H,2-3,10-11,14H2,1H3,(H2,29,30)(H,31,34)
• InChIKey: ODDUZRVAKGGQNR-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 106.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.49
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide?

The IUPAC name of 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide (CID 67267856) is 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide.

What is the SMILES notation for 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide?

The canonical SMILES for 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide is CCCC(Oc1ccc2ccnc(N)c2c1)C(=O)Nc1ccc(N2CCOCC2=O)c(C(F)(F)F)c1.

What is the InChIKey of 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide?

The InChIKey is ODDUZRVAKGGQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O4/c1-2-3-21(36-17-6-4-15-8-9-30-23(29)18(15)13-17)24(34)31-16-5-7-20(19(12-16)25(26,27)28)32-10-11-35-14-22(32)33/h4-9,12-13,21H,2-3,10-11,14H2,1H3,(H2,29,30)(H,31,34).

What are the key properties of 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide?

2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 502.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 67267856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).