9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

C23H24N2O2S — CID 163858078

About 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one

9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 163858078) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
• PubChem CID: 163858078
• Molecular Formula: C23H24N2O2S
• Molecular Weight: 392.52 g/mol
• Exact Mass: 392.16
• IUPAC Name: 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one
• SMILES: CCc1cc(OC)c(-c2ccc(C[C@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12
• InChI: InChI=1S/C23H24N2O2S/c1-4-15-12-18(27-3)19(16-7-5-14(6-8-16)11-13(2)24)20-17-9-10-28-22(17)23(26)25-21(15)20/h5-10,12-13H,4,11,24H2,1-3H3,(H,25,26)/t13-/m0/s1
• InChIKey: PABPWOZITXQLAB-ZDUSSCGKSA-N
• XLogP: 4.87
• TPSA: 68.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.52
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?

The IUPAC name of 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one (CID 163858078) is 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one.

What is the SMILES notation for 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?

The canonical SMILES for 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is CCc1cc(OC)c(-c2ccc(C[C@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12.

What is the InChIKey of 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?

The InChIKey is PABPWOZITXQLAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-4-15-12-18(27-3)19(16-7-5-14(6-8-16)11-13(2)24)20-17-9-10-28-22(17)23(26)25-21(15)20/h5-10,12-13H,4,11,24H2,1-3H3,(H,25,26)/t13-/m0/s1.

What are the key properties of 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one?

9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 392.52 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[(2S)-2-aminopropyl]phenyl]-6-ethyl-8-methoxy-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 163858078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).