(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

C23H24N2OS — CID 7363766

About (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 7363766) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

• Compound Name: (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
• PubChem CID: 7363766
• Molecular Formula: C23H24N2OS
• Molecular Weight: 376.53 g/mol
• Exact Mass: 376.16
• IUPAC Name: (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
• SMILES: Cc1cc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2c(C)cccc12
• InChI: InChI=1S/C23H24N2OS/c1-14-8-7-10-19-15(2)12-21(24-22(14)19)27-17(4)23(26)25-16(3)13-18-9-5-6-11-20(18)25/h5-12,16-17H,13H2,1-4H3/t16-,17-/m0/s1
• InChIKey: QULPLTARVFXFIU-IRXDYDNUSA-N
• XLogP: 5.31
• TPSA: 33.20 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.53
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

The IUPAC name of (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (CID 7363766) is (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

What is the SMILES notation for (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

The canonical SMILES for (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is Cc1cc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2c(C)cccc12.

What is the InChIKey of (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

The InChIKey is QULPLTARVFXFIU-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-14-8-7-10-19-15(2)12-21(24-22(14)19)27-17(4)23(26)25-16(3)13-18-9-5-6-11-20(18)25/h5-12,16-17H,13H2,1-4H3/t16-,17-/m0/s1.

What are the key properties of (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

(2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 376.53 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 7363766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).