9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride

C20H19ClN2O2S — CID 118234948

About 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride

9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (PubChem CID 118234948) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.

Molecular Properties

• Compound Name: 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
• PubChem CID: 118234948
• Molecular Formula: C20H19ClN2O2S
• Molecular Weight: 386.90 g/mol
• Exact Mass: 386.09
• IUPAC Name: 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
• SMILES: Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12.Cl
• InChI: InChI=1S/C20H18N2O2S.ClH/c1-10-9-15(23)16(13-5-3-12(4-6-13)11(2)21)17-14-7-8-25-19(14)20(24)22-18(10)17;/h3-9,11,23H,21H2,1-2H3,(H,22,24);1H/t11-;/m1./s1
• InChIKey: SSHXJKHPPVDWDT-RFVHGSKJSA-N
• XLogP: 4.87
• TPSA: 79.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.90
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?

The IUPAC name of 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (CID 118234948) is 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.

What is the SMILES notation for 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?

The canonical SMILES for 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1[nH]c(=O)c1sccc12.Cl.

What is the InChIKey of 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?

The InChIKey is SSHXJKHPPVDWDT-RFVHGSKJSA-N. The full InChI is InChI=1S/C20H18N2O2S.ClH/c1-10-9-15(23)16(13-5-3-12(4-6-13)11(2)21)17-14-7-8-25-19(14)20(24)22-18(10)17;/h3-9,11,23H,21H2,1-2H3,(H,22,24);1H/t11-;/m1./s1.

What are the key properties of 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?

9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride has a molecular weight of 386.90 g/mol, XLogP of 4.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[(1R)-1-aminoethyl]phenyl]-8-hydroxy-6-methyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 118234948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).