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

C22H30FN3O3S — CID 170753178

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

(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-(oxan-3-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170753178) 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-(oxan-3-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-(oxan-3-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
• PubChem CID: 170753178
• Molecular Formula: C22H30FN3O3S
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.20
• IUPAC Name: (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-(oxan-3-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(C3CCCOC3)nc12
• InChI: InChI=1S/C22H30FN3O3S/c1-13(25-30(28)22(2,3)4)17-10-15(23)11-18-19(17)24-20(14-6-5-9-29-12-14)26(21(18)27)16-7-8-16/h10-11,13-14,16,25H,5-9,12H2,1-4H3/t13-,14?,30-/m1/s1
• InChIKey: VWDLNQFRIOKIOT-SIHVICGXSA-N
• XLogP: 3.88
• 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	3.88
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-(oxan-3-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-(oxan-3-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide (CID 170753178) is (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-(oxan-3-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-(oxan-3-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-(oxan-3-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(C3CCCOC3)nc12.

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

The InChIKey is VWDLNQFRIOKIOT-SIHVICGXSA-N. The full InChI is InChI=1S/C22H30FN3O3S/c1-13(25-30(28)22(2,3)4)17-10-15(23)11-18-19(17)24-20(14-6-5-9-29-12-14)26(21(18)27)16-7-8-16/h10-11,13-14,16,25H,5-9,12H2,1-4H3/t13-,14?,30-/m1/s1.

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

(R)-N-[(1R)-1-[3-cyclopropyl-6-fluoro-2-(oxan-3-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 435.57 g/mol, XLogP of 3.88, 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-(oxan-3-yl)-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170753178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).