(R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide

C19H25FN4O3S — CID 170753188

About (R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 170753188) has the molecular formula C19H25FN4O3S and a molecular weight of 408.50 g/mol. Its IUPAC name is (R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide
• PubChem CID: 170753188
• Molecular Formula: C19H25FN4O3S
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.16
• IUPAC Name: (R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide
• SMILES: CC(=N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n(C)c(N3CCOCC3)nc12
• InChI: InChI=1S/C19H25FN4O3S/c1-12(22-28(26)19(2,3)4)14-10-13(20)11-15-16(14)21-18(23(5)17(15)25)24-6-8-27-9-7-24/h10-11H,6-9H2,1-5H3/t28-/m1/s1
• InChIKey: JZRWOMICXDVORH-MUUNZHRXSA-N
• XLogP: 2.18
• TPSA: 76.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide (CID 170753188) is (R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide.

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

The canonical SMILES for (R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide is CC(=N[S@](=O)C(C)(C)C)c1cc(F)cc2c(=O)n(C)c(N3CCOCC3)nc12.

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

The InChIKey is JZRWOMICXDVORH-MUUNZHRXSA-N. The full InChI is InChI=1S/C19H25FN4O3S/c1-12(22-28(26)19(2,3)4)14-10-13(20)11-15-16(14)21-18(23(5)17(15)25)24-6-8-27-9-7-24/h10-11H,6-9H2,1-5H3/t28-/m1/s1.

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

(R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 408.50 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[1-(6-fluoro-3-methyl-2-morpholin-4-yl-4-oxoquinazolin-8-yl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170753188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).