(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide

C22H30FN3O3S — CID 170753222

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

(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170753222) has the molecular formula C22H30FN3O3S and a molecular weight of 435.57 g/mol. Its IUPAC name is (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 170753222
• Molecular Formula: C22H30FN3O3S
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.20
• IUPAC Name: (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-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]3CCCCO3)nc12
• InChI: InChI=1S/C22H30FN3O3S/c1-13(25-30(28)22(2,3)4)16-11-14(23)12-17-19(16)24-20(18-7-5-6-10-29-18)26(21(17)27)15-8-9-15/h11-13,15,18,25H,5-10H2,1-4H3/t13-,18-,30-/m1/s1
• InChIKey: YDBHOSNXVPOYFI-SWPINSIWSA-N
• XLogP: 4.22
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	4.22
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-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 170753222) is (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

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

The canonical SMILES for (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-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]3CCCCO3)nc12.

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

The InChIKey is YDBHOSNXVPOYFI-SWPINSIWSA-N. The full InChI is InChI=1S/C22H30FN3O3S/c1-13(25-30(28)22(2,3)4)16-11-14(23)12-17-19(16)24-20(18-7-5-6-10-29-18)26(21(17)27)15-8-9-15/h11-13,15,18,25H,5-10H2,1-4H3/t13-,18-,30-/m1/s1.

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

(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 435.57 g/mol, XLogP of 4.22, 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-2-[(2R)-oxan-2-yl]-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170753222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).