5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide

C25H21F3N4O4 — CID 58830114

About 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide

5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 58830114) has the molecular formula C25H21F3N4O4 and a molecular weight of 498.46 g/mol. Its IUPAC name is 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 58830114
• Molecular Formula: C25H21F3N4O4
• Molecular Weight: 498.46 g/mol
• Exact Mass: 498.15
• IUPAC Name: 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
• SMILES: COc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccc3nc(N)ncc3c2)c(OC)c1OC
• InChI: InChI=1S/C25H21F3N4O4/c1-34-20-17(13-7-8-19-14(9-13)12-30-24(29)32-19)11-18(21(35-2)22(20)36-3)23(33)31-16-6-4-5-15(10-16)25(26,27)28/h4-12H,1-3H3,(H,31,33)(H2,29,30,32)
• InChIKey: ONJQVUIBSKZSNG-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 108.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.46
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide (CID 58830114) is 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide is COc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2ccc3nc(N)ncc3c2)c(OC)c1OC.

What is the InChIKey of 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is ONJQVUIBSKZSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O4/c1-34-20-17(13-7-8-19-14(9-13)12-30-24(29)32-19)11-18(21(35-2)22(20)36-3)23(33)31-16-6-4-5-15(10-16)25(26,27)28/h4-12H,1-3H3,(H,31,33)(H2,29,30,32).

What are the key properties of 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide?

5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 498.46 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-aminoquinazolin-6-yl)-2,3,4-trimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58830114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).