4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine

C24H30N4OS — CID 67772653

About 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine

4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine (PubChem CID 67772653) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine
• PubChem CID: 67772653
• Molecular Formula: C24H30N4OS
• Molecular Weight: 422.60 g/mol
• Exact Mass: 422.21
• IUPAC Name: 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine
• SMILES: Cc1nc(N2CCOCC2)sc1-c1ccc2cccc(CCN3CCC[C@H]3C)c2n1
• InChI: InChI=1S/C24H30N4OS/c1-17-5-4-11-27(17)12-10-20-7-3-6-19-8-9-21(26-22(19)20)23-18(2)25-24(30-23)28-13-15-29-16-14-28/h3,6-9,17H,4-5,10-16H2,1-2H3/t17-/m1/s1
• InChIKey: RXPVHTQGNVLYHM-QGZVFWFLSA-N
• XLogP: 4.53
• TPSA: 41.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.60
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine?

The IUPAC name of 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine (CID 67772653) is 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine.

What is the SMILES notation for 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine?

The canonical SMILES for 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine is Cc1nc(N2CCOCC2)sc1-c1ccc2cccc(CCN3CCC[C@H]3C)c2n1.

What is the InChIKey of 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine?

The InChIKey is RXPVHTQGNVLYHM-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-17-5-4-11-27(17)12-10-20-7-3-6-19-8-9-21(26-22(19)20)23-18(2)25-24(30-23)28-13-15-29-16-14-28/h3,6-9,17H,4-5,10-16H2,1-2H3/t17-/m1/s1.

What are the key properties of 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine?

4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 422.60 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-methyl-5-[8-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 67772653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).