5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium

C22H12N2OS2 — CID 15721910

IUPAC5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium
SMILES[O-][n+]1c(-c2nc3ccccc3c3ccsc23)c2sccc2c2ccccc21
InChIInChI=1S/C22H12N2OS2/c25-24-18-8-4-2-6-14(18)16-10-12-27-22(16)20(24)19-21-15(9-11-26-21)13-5-1-3-7-17(13)23-19/h1-12H
InChIKeyLLVRLYNDSQNFFN-UHFFFAOYSA-N
MW384.49 g/mol
LogP6.12
Rot. Bonds1

About 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium

5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium (PubChem CID 15721910) has the molecular formula C22H12N2OS2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium.

Molecular Properties

Compound Name5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium
PubChem CID15721910
Molecular FormulaC22H12N2OS2
Molecular Weight384.49 g/mol
Exact Mass384.04
IUPAC Name5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium
SMILES[O-][n+]1c(-c2nc3ccccc3c3ccsc23)c2sccc2c2ccccc21
InChIInChI=1S/C22H12N2OS2/c25-24-18-8-4-2-6-14(18)16-10-12-27-22(16)20(24)19-21-15(9-11-26-21)13-5-1-3-7-17(13)23-19/h1-12H
InChIKeyLLVRLYNDSQNFFN-UHFFFAOYSA-N
XLogP6.12
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium with MolForge

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Launch Full Analysis

Related Compounds

2-Benzothiazol-2-yl-quinoline
CID 699802
(1)Benzothieno(3,2-b)quinoline
CID 828263
2-(5-Thiophen-2-ylthiophen-2-yl)quinolin-4-amine
CID 44523429
2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]quinoline;hydroiodide
CID 46906802
2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]quinoline;hydroiodide
CID 46906863
6-(5-thiophen-2-ylthiophen-2-yl)-7H-indolo[2,3-c]quinoline
CID 118735881
2-(1-Benzothiophen-2-yl)quinoline
CID 237070
Quinoline, 4-phenyl-2-(2-thienyl)-
CID 8966250
(Z)-2-quinolin-2-yl-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile
CID 57398522
7H-Indeno(2,1-c)quinoline, 6-(2-thienyl)-
CID 3080467
2-[(E)-2-(1-benzothiophen-2-yl)ethenyl]quinoline
CID 5813215
1-Oxido-2-thiophen-2-ylquinolin-1-ium
CID 15395628

Frequently Asked Questions

What is the IUPAC name of 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium?
The IUPAC name of 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium (CID 15721910) is 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium.
What is the SMILES notation for 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium?
The canonical SMILES for 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium is [O-][n+]1c(-c2nc3ccccc3c3ccsc23)c2sccc2c2ccccc21.
What is the InChIKey of 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium?
The InChIKey is LLVRLYNDSQNFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2OS2/c25-24-18-8-4-2-6-14(18)16-10-12-27-22(16)20(24)19-21-15(9-11-26-21)13-5-1-3-7-17(13)23-19/h1-12H.
What are the key properties of 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium?
5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium has a molecular weight of 384.49 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxido-4-thieno[2,3-c]quinolin-4-ylthieno[2,3-c]quinolin-5-ium is sourced from PubChem (CID 15721910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).