3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide

C26H20F5N3O2 — CID 142502804

About 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide

3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide (PubChem CID 142502804) has the molecular formula C26H20F5N3O2 and a molecular weight of 501.46 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
• PubChem CID: 142502804
• Molecular Formula: C26H20F5N3O2
• Molecular Weight: 501.46 g/mol
• Exact Mass: 501.15
• IUPAC Name: 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide
• SMILES: O=C(NCc1c(F)cc(F)cc1F)c1ccc2c(c1)N(Cc1cc(F)cc(F)c1)C(=O)N(C1CC1)C2
• InChI: InChI=1S/C26H20F5N3O2/c27-17-5-14(6-18(28)8-17)12-34-24-7-15(1-2-16(24)13-33(26(34)36)20-3-4-20)25(35)32-11-21-22(30)9-19(29)10-23(21)31/h1-2,5-10,20H,3-4,11-13H2,(H,32,35)
• InChIKey: LHLSQIPJOMARFK-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.46
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?

The IUPAC name of 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide (CID 142502804) is 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide.

What is the SMILES notation for 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?

The canonical SMILES for 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide is O=C(NCc1c(F)cc(F)cc1F)c1ccc2c(c1)N(Cc1cc(F)cc(F)c1)C(=O)N(C1CC1)C2.

What is the InChIKey of 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?

The InChIKey is LHLSQIPJOMARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F5N3O2/c27-17-5-14(6-18(28)8-17)12-34-24-7-15(1-2-16(24)13-33(26(34)36)20-3-4-20)25(35)32-11-21-22(30)9-19(29)10-23(21)31/h1-2,5-10,20H,3-4,11-13H2,(H,32,35).

What are the key properties of 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide?

3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide has a molecular weight of 501.46 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-4H-quinazoline-7-carboxamide is sourced from PubChem (CID 142502804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).