1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride

C17H12ClNOS — CID 67457005

IUPAC1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
SMILESCl.O=c1[nH]c2ccccc2c2c(-c3ccccc3)csc12
InChIInChI=1S/C17H11NOS.ClH/c19-17-16-15(12-8-4-5-9-14(12)18-17)13(10-20-16)11-6-2-1-3-7-11;/h1-10H,(H,18,19);1H
InChIKeyALZMTSYTTSDLSB-UHFFFAOYSA-N
MW313.81 g/mol
LogP4.83
Rot. Bonds1

About 1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride

1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (PubChem CID 67457005) has the molecular formula C17H12ClNOS and a molecular weight of 313.81 g/mol. Its IUPAC name is 1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
PubChem CID67457005
Molecular FormulaC17H12ClNOS
Molecular Weight313.81 g/mol
Exact Mass313.03
IUPAC Name1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
SMILESCl.O=c1[nH]c2ccccc2c2c(-c3ccccc3)csc12
InChIInChI=1S/C17H11NOS.ClH/c19-17-16-15(12-8-4-5-9-14(12)18-17)13(10-20-16)11-6-2-1-3-7-11;/h1-10H,(H,18,19);1H
InChIKeyALZMTSYTTSDLSB-UHFFFAOYSA-N
XLogP4.83
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The IUPAC name of 1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (CID 67457005) is 1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is Cl.O=c1[nH]c2ccccc2c2c(-c3ccccc3)csc12.
What is the InChIKey of 1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The InChIKey is ALZMTSYTTSDLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS.ClH/c19-17-16-15(12-8-4-5-9-14(12)18-17)13(10-20-16)11-6-2-1-3-7-11;/h1-10H,(H,18,19);1H.
What are the key properties of 1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride has a molecular weight of 313.81 g/mol, XLogP of 4.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 67457005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).