methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate

C24H29N3O4S — CID 123708985

About methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate

methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate (PubChem CID 123708985) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate
• PubChem CID: 123708985
• Molecular Formula: C24H29N3O4S
• Molecular Weight: 455.58 g/mol
• Exact Mass: 455.19
• IUPAC Name: methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate
• SMILES: COC(=O)N1C[C@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C
• InChI: InChI=1S/C24H29N3O4S/c1-13(2)19-12-32-23(26-19)18-10-21(17-7-8-20(29-5)15(4)22(17)25-18)31-16-9-14(3)27(11-16)24(28)30-6/h7-8,10,12-14,16H,9,11H2,1-6H3/t14-,16-/m1/s1
• InChIKey: HHGNZDDFOSJWQK-GDBMZVCRSA-N
• XLogP: 5.41
• TPSA: 73.78 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.58
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate?

The IUPAC name of methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate (CID 123708985) is methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate.

What is the SMILES notation for methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate?

The canonical SMILES for methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate is COC(=O)N1C[C@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)C[C@H]1C.

What is the InChIKey of methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate?

The InChIKey is HHGNZDDFOSJWQK-GDBMZVCRSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-13(2)19-12-32-23(26-19)18-10-21(17-7-8-20(29-5)15(4)22(17)25-18)31-16-9-14(3)27(11-16)24(28)30-6/h7-8,10,12-14,16H,9,11H2,1-6H3/t14-,16-/m1/s1.

What are the key properties of methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate?

methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate has a molecular weight of 455.58 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R,4R)-4-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 123708985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).