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

C19H16Cl2N2O2S — CID 86689478

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

9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (PubChem CID 86689478) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.

Molecular Properties

• Compound Name: 9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
• PubChem CID: 86689478
• Molecular Formula: C19H16Cl2N2O2S
• Molecular Weight: 407.32 g/mol
• Exact Mass: 406.03
• IUPAC Name: 9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
• SMILES: CC(N)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1.Cl
• InChI: InChI=1S/C19H15ClN2O2S.ClH/c1-9(21)10-2-4-11(5-3-10)15-14(23)8-13(20)17-16(15)12-6-7-25-18(12)19(24)22-17;/h2-9,23H,21H2,1H3,(H,22,24);1H
• InChIKey: WFHGBSGRHGRTOL-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 79.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.32
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (CID 86689478) is 9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.

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

The canonical SMILES for 9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is CC(N)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1.Cl.

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

The InChIKey is WFHGBSGRHGRTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S.ClH/c1-9(21)10-2-4-11(5-3-10)15-14(23)8-13(20)17-16(15)12-6-7-25-18(12)19(24)22-17;/h2-9,23H,21H2,1H3,(H,22,24);1H.

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

9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride has a molecular weight of 407.32 g/mol, XLogP of 5.21, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(1-aminoethyl)phenyl]-6-chloro-8-hydroxy-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 86689478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).