2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

C25H21F3N4O2 — CID 42609961

About 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (PubChem CID 42609961) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
• PubChem CID: 42609961
• Molecular Formula: C25H21F3N4O2
• Molecular Weight: 466.46 g/mol
• Exact Mass: 466.16
• IUPAC Name: 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
• SMILES: C[C@@H](NC(=O)Cc1ccc(-c2cccc3cncnc23)cc1)c1ccc(OCC(F)(F)F)cn1
• InChI: InChI=1S/C25H21F3N4O2/c1-16(22-10-9-20(13-30-22)34-14-25(26,27)28)32-23(33)11-17-5-7-18(8-6-17)21-4-2-3-19-12-29-15-31-24(19)21/h2-10,12-13,15-16H,11,14H2,1H3,(H,32,33)/t16-/m1/s1
• InChIKey: QPTOMHXLGJUCNP-MRXNPFEDSA-N
• XLogP: 5.05
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.46
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?

The IUPAC name of 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (CID 42609961) is 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.

What is the SMILES notation for 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?

The canonical SMILES for 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(-c2cccc3cncnc23)cc1)c1ccc(OCC(F)(F)F)cn1.

What is the InChIKey of 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?

The InChIKey is QPTOMHXLGJUCNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c1-16(22-10-9-20(13-30-22)34-14-25(26,27)28)32-23(33)11-17-5-7-18(8-6-17)21-4-2-3-19-12-29-15-31-24(19)21/h2-10,12-13,15-16H,11,14H2,1H3,(H,32,33)/t16-/m1/s1.

What are the key properties of 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?

2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide has a molecular weight of 466.46 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-quinazolin-8-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 42609961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).