9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

C23H23FN2O2S — CID 67450341

About 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one

9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (PubChem CID 67450341) has the molecular formula C23H23FN2O2S and a molecular weight of 410.51 g/mol. Its IUPAC name is 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.

Molecular Properties

• Compound Name: 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
• PubChem CID: 67450341
• Molecular Formula: C23H23FN2O2S
• Molecular Weight: 410.51 g/mol
• Exact Mass: 410.15
• IUPAC Name: 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one
• SMILES: Cc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)c(F)c2)c2c1[nH]c(=O)c1sccc12
• InChI: InChI=1S/C23H23FN2O2S/c1-12-9-18(27)19(20-16-7-8-29-22(16)23(28)25-21(12)20)14-5-6-15(17(24)10-14)13(2)11-26(3)4/h5-10,13,27H,11H2,1-4H3,(H,25,28)/t13-/m0/s1
• InChIKey: LHZSCNHIQYURJR-ZDUSSCGKSA-N
• XLogP: 5.23
• TPSA: 56.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.51
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?

The IUPAC name of 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one (CID 67450341) is 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one.

What is the SMILES notation for 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?

The canonical SMILES for 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is Cc1cc(O)c(-c2ccc([C@@H](C)CN(C)C)c(F)c2)c2c1[nH]c(=O)c1sccc12.

What is the InChIKey of 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?

The InChIKey is LHZSCNHIQYURJR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H23FN2O2S/c1-12-9-18(27)19(20-16-7-8-29-22(16)23(28)25-21(12)20)14-5-6-15(17(24)10-14)13(2)11-26(3)4/h5-10,13,27H,11H2,1-4H3,(H,25,28)/t13-/m0/s1.

What are the key properties of 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one?

9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one has a molecular weight of 410.51 g/mol, XLogP of 5.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[(2R)-1-(dimethylamino)propan-2-yl]-3-fluorophenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one is sourced from PubChem (CID 67450341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).