(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

C21H28FN3O3S — CID 170753096

About (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170753096) has the molecular formula C21H28FN3O3S and a molecular weight of 421.54 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 170753096
• Molecular Formula: C21H28FN3O3S
• Molecular Weight: 421.54 g/mol
• Exact Mass: 421.18
• IUPAC Name: (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
• SMILES: C[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n(C3CC3)c([C@H]3CCCO3)nc12
• InChI: InChI=1S/C21H28FN3O3S/c1-12(24-29(27)21(2,3)4)15-10-13(22)11-16-18(15)23-19(17-6-5-9-28-17)25(20(16)26)14-7-8-14/h10-12,14,17,24H,5-9H2,1-4H3/t12-,17-,29-/m1/s1
• InChIKey: GXOTURDHAAFETG-QNIKGDIHSA-N
• XLogP: 3.83
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.54
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 170753096) is (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n(C3CC3)c([C@H]3CCCO3)nc12.

What is the InChIKey of (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?

The InChIKey is GXOTURDHAAFETG-QNIKGDIHSA-N. The full InChI is InChI=1S/C21H28FN3O3S/c1-12(24-29(27)21(2,3)4)15-10-13(22)11-16-18(15)23-19(17-6-5-9-28-17)25(20(16)26)14-7-8-14/h10-12,14,17,24H,5-9H2,1-4H3/t12-,17-,29-/m1/s1.

What are the key properties of (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?

(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 421.54 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-4-oxo-2-[(2R)-oxolan-2-yl]quinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170753096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).