9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium

C11H11NOS — CID 15697312

IUPAC9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium
SMILES[O-][n+]1c2c(cc3ccsc31)CCCC2
InChIInChI=1S/C11H11NOS/c13-12-10-4-2-1-3-8(10)7-9-5-6-14-11(9)12/h5-7H,1-4H2
InChIKeyNRUFNQRISBVRNT-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.41
Rot. Bonds

About 9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium

9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium (PubChem CID 15697312) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium.

Molecular Properties

Compound Name9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium
PubChem CID15697312
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium
SMILES[O-][n+]1c2c(cc3ccsc31)CCCC2
InChIInChI=1S/C11H11NOS/c13-12-10-4-2-1-3-8(10)7-9-5-6-14-11(9)12/h5-7H,1-4H2
InChIKeyNRUFNQRISBVRNT-UHFFFAOYSA-N
XLogP2.41
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-Thienyl)quinoline
CID 251365
AE-641/00355019
CID 826449
2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline
CID 6178517
5-Phenylthieno[3,2-b]pyridine
CID 24747710
2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]quinoline
CID 6056275
2,4-Dimethyl-2,3-dihydrothieno[3,2-c]quinoline
CID 3117152
2-(1-Thiophen-2-ylethenyl)quinoline
CID 53315781
4,6-Dimethyl-2,3-dihydrothieno[3,2-c]quinoline
CID 2816000
Quinoline, 4-phenyl-2-(2-thienyl)-
CID 8966250
2-Phenyl-6-(2-thienyl)pyridine
CID 15423030
2-[(E)-2-thiophen-2-ylethenyl]quinoline
CID 6011786
2-Butylsulfinyl-6-phenylthieno[2,3-b]pyridine
CID 118058998

Frequently Asked Questions

What is the IUPAC name of 9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium?
The IUPAC name of 9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium (CID 15697312) is 9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium.
What is the SMILES notation for 9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium?
The canonical SMILES for 9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium is [O-][n+]1c2c(cc3ccsc31)CCCC2.
What is the InChIKey of 9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium?
The InChIKey is NRUFNQRISBVRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c13-12-10-4-2-1-3-8(10)7-9-5-6-14-11(9)12/h5-7H,1-4H2.
What are the key properties of 9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium?
9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium has a molecular weight of 205.28 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxido-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-9-ium is sourced from PubChem (CID 15697312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).