N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide

C37H41F4N5O6 — CID 11629108

About N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide

N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 11629108) has the molecular formula C37H41F4N5O6 and a molecular weight of 727.76 g/mol. Its IUPAC name is N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide
• PubChem CID: 11629108
• Molecular Formula: C37H41F4N5O6
• Molecular Weight: 727.76 g/mol
• Exact Mass: 727.30
• IUPAC Name: N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide
• SMILES: CCOc1ccc(-n2c(C(CCNC(=O)COC)N(CCN3CCOCC3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
• InChI: InChI=1S/C37H41F4N5O6/c1-3-52-27-11-9-26(10-12-27)46-35(43-31-7-5-4-6-28(31)36(46)49)32(14-15-42-33(47)24-50-2)45(17-16-44-18-20-51-21-19-44)34(48)23-25-8-13-29(30(38)22-25)37(39,40)41/h4-13,22,32H,3,14-21,23-24H2,1-2H3,(H,42,47)
• InChIKey: HMPOAHGLXAKDPQ-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 115.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	727.76
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide?

The IUPAC name of N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide (CID 11629108) is N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide.

What is the SMILES notation for N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide?

The canonical SMILES for N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide is CCOc1ccc(-n2c(C(CCNC(=O)COC)N(CCN3CCOCC3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.

What is the InChIKey of N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide?

The InChIKey is HMPOAHGLXAKDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41F4N5O6/c1-3-52-27-11-9-26(10-12-27)46-35(43-31-7-5-4-6-28(31)36(46)49)32(14-15-42-33(47)24-50-2)45(17-16-44-18-20-51-21-19-44)34(48)23-25-8-13-29(30(38)22-25)37(39,40)41/h4-13,22,32H,3,14-21,23-24H2,1-2H3,(H,42,47).

What are the key properties of N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide?

N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 727.76 g/mol, XLogP of 4.54, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(2-methoxyacetyl)amino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 11629108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).