(2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide

C24H24F3N3O3 — CID 177351823

About (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide

(2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide (PubChem CID 177351823) has the molecular formula C24H24F3N3O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide
• PubChem CID: 177351823
• Molecular Formula: C24H24F3N3O3
• Molecular Weight: 459.47 g/mol
• Exact Mass: 459.18
• IUPAC Name: (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide
• SMILES: C[C@@H](NC(=O)[C@@H](C1CCCCC1)n1c(=O)[nH]c2ccc(F)cc2c1=O)c1ccc(F)cc1F
• InChI: InChI=1S/C24H24F3N3O3/c1-13(17-9-7-16(26)12-19(17)27)28-22(31)21(14-5-3-2-4-6-14)30-23(32)18-11-15(25)8-10-20(18)29-24(30)33/h7-14,21H,2-6H2,1H3,(H,28,31)(H,29,33)/t13-,21-/m1/s1
• InChIKey: IIAQPSVJXMYMPZ-LRTDBIEQSA-N
• XLogP: 4.11
• TPSA: 83.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.47
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide?

The IUPAC name of (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide (CID 177351823) is (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide.

What is the SMILES notation for (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide?

The canonical SMILES for (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide is C[C@@H](NC(=O)[C@@H](C1CCCCC1)n1c(=O)[nH]c2ccc(F)cc2c1=O)c1ccc(F)cc1F.

What is the InChIKey of (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide?

The InChIKey is IIAQPSVJXMYMPZ-LRTDBIEQSA-N. The full InChI is InChI=1S/C24H24F3N3O3/c1-13(17-9-7-16(26)12-19(17)27)28-22(31)21(14-5-3-2-4-6-14)30-23(32)18-11-15(25)8-10-20(18)29-24(30)33/h7-14,21H,2-6H2,1H3,(H,28,31)(H,29,33)/t13-,21-/m1/s1.

What are the key properties of (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide?

(2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide has a molecular weight of 459.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-cyclohexyl-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(6-fluoro-2,4-dioxo-1H-quinazolin-3-yl)acetamide is sourced from PubChem (CID 177351823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).