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

C11H8ClNO2S — CID 67450079

IUPAC3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
SMILESCl.O=c1[nH]c2ccccc2c2c1S(=O)C=C2
InChIInChI=1S/C11H7NO2S.ClH/c13-11-10-8(5-6-15(10)14)7-3-1-2-4-9(7)12-11;/h1-6H,(H,12,13);1H
InChIKeyFGJADYXLISKSBK-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.04
Rot. Bonds

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

3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (PubChem CID 67450079) has the molecular formula C11H8ClNO2S and a molecular weight of 253.71 g/mol. Its IUPAC name is 3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
PubChem CID67450079
Molecular FormulaC11H8ClNO2S
Molecular Weight253.71 g/mol
Exact Mass253.00
IUPAC Name3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
SMILESCl.O=c1[nH]c2ccccc2c2c1S(=O)C=C2
InChIInChI=1S/C11H7NO2S.ClH/c13-11-10-8(5-6-15(10)14)7-3-1-2-4-9(7)12-11;/h1-6H,(H,12,13);1H
InChIKeyFGJADYXLISKSBK-UHFFFAOYSA-N
XLogP2.04
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,8-dihydro-5H-phenanthridin-6-one
CID 118650763
10H-acridin-9-one
CID 22753806
4-amino-3-phenyl-1H-quinolin-2-one
CID 2784967
4H-diazeto[3,4-c]quinolin-3-one
CID 136619278
9H-carbazole
CID 66668984
3,5-dihydropyrido[4,3-b]indol-4-one
CID 141032794
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
1,5-dihydro-1,5-benzodiazepine-2,3,4-trione
CID 12917041
3,5-dihydro-2H-pyrazolo[3,4-c]quinoline-1,4-dione
CID 23366809
3,4-ditert-butyl-1H-quinolin-2-one
CID 58782577
9H-carbazole;sulfuryl dichloride
CID 158008992
10H-acridin-9-one;ethane
CID 91525380

Frequently Asked Questions

What is the IUPAC name of 3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The IUPAC name of 3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride (CID 67450079) is 3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride.
What is the SMILES notation for 3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The canonical SMILES for 3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is Cl.O=c1[nH]c2ccccc2c2c1S(=O)C=C2.
What is the InChIKey of 3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
The InChIKey is FGJADYXLISKSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2S.ClH/c13-11-10-8(5-6-15(10)14)7-3-1-2-4-9(7)12-11;/h1-6H,(H,12,13);1H.
What are the key properties of 3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride?
3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride has a molecular weight of 253.71 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-5H-thieno[2,3-c]quinolin-4-one;hydrochloride is sourced from PubChem (CID 67450079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).