(R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide

C23H30ClN3O3S — CID 170753158

About (R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 170753158) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is (R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
• PubChem CID: 170753158
• Molecular Formula: C23H30ClN3O3S
• Molecular Weight: 464.03 g/mol
• Exact Mass: 463.17
• IUPAC Name: (R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide
• SMILES: CC(=N[S@](=O)C(C)(C)C)c1cc(Cl)cc2c(=O)n(C3CC3)c(C3(C)CCOCC3)nc12
• InChI: InChI=1S/C23H30ClN3O3S/c1-14(26-31(29)22(2,3)4)17-12-15(24)13-18-19(17)25-21(23(5)8-10-30-11-9-23)27(20(18)28)16-6-7-16/h12-13,16H,6-11H2,1-5H3/t31-/m1/s1
• InChIKey: GIZNLCREDGWOMM-WJOKGBTCSA-N
• XLogP: 4.72
• TPSA: 73.55 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.03
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide?

The IUPAC name of (R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide (CID 170753158) is (R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide.

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

The canonical SMILES for (R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is CC(=N[S@](=O)C(C)(C)C)c1cc(Cl)cc2c(=O)n(C3CC3)c(C3(C)CCOCC3)nc12.

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

The InChIKey is GIZNLCREDGWOMM-WJOKGBTCSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-14(26-31(29)22(2,3)4)17-12-15(24)13-18-19(17)25-21(23(5)8-10-30-11-9-23)27(20(18)28)16-6-7-16/h12-13,16H,6-11H2,1-5H3/t31-/m1/s1.

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

(R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 464.03 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-N-[1-[6-chloro-3-cyclopropyl-2-(4-methyloxan-4-yl)-4-oxoquinazolin-8-yl]ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170753158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).