4-oxidothieno[3,2-c]isoquinolin-4-ium

C11H7NOS — CID 14709354

IUPAC4-oxidothieno[3,2-c]isoquinolin-4-ium
SMILES[O-][n+]1cc2ccccc2c2sccc21
InChIInChI=1S/C11H7NOS/c13-12-7-8-3-1-2-4-9(8)11-10(12)5-6-14-11/h1-7H
InChIKeyIMZDCQQAPWOLMI-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.69
Rot. Bonds

About 4-oxidothieno[3,2-c]isoquinolin-4-ium

4-oxidothieno[3,2-c]isoquinolin-4-ium (PubChem CID 14709354) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-oxidothieno[3,2-c]isoquinolin-4-ium.

Molecular Properties

Compound Name4-oxidothieno[3,2-c]isoquinolin-4-ium
PubChem CID14709354
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Name4-oxidothieno[3,2-c]isoquinolin-4-ium
SMILES[O-][n+]1cc2ccccc2c2sccc21
InChIInChI=1S/C11H7NOS/c13-12-7-8-3-1-2-4-9(8)11-10(12)5-6-14-11/h1-7H
InChIKeyIMZDCQQAPWOLMI-UHFFFAOYSA-N
XLogP2.69
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.69
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

3-(3-Thienyl)quinoline
CID 10242258
5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
6,7-Difluoro-3-thiophen-3-yl-quinoline
CID 10106010
(NZ)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53325802
2-(Benzo(b)thiophen-2-yl)pyridine
CID 11505853
Thieno(3,2-b)pyridine-6-carbonitrile
CID 13939472
Thieno[3,2-c][2,6]naphthyridine
CID 901689
Dithieno[3,4-b:3,2-d]pyridine
CID 364225
Thieno[3,4-c][1,5]naphthyridine 1-oxide
CID 901683
Thieno[3,4-c][2,7]naphthyridine
CID 901690

Frequently Asked Questions

What is the IUPAC name of 4-oxidothieno[3,2-c]isoquinolin-4-ium?
The IUPAC name of 4-oxidothieno[3,2-c]isoquinolin-4-ium (CID 14709354) is 4-oxidothieno[3,2-c]isoquinolin-4-ium.
What is the SMILES notation for 4-oxidothieno[3,2-c]isoquinolin-4-ium?
The canonical SMILES for 4-oxidothieno[3,2-c]isoquinolin-4-ium is [O-][n+]1cc2ccccc2c2sccc21.
What is the InChIKey of 4-oxidothieno[3,2-c]isoquinolin-4-ium?
The InChIKey is IMZDCQQAPWOLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c13-12-7-8-3-1-2-4-9(8)11-10(12)5-6-14-11/h1-7H.
What are the key properties of 4-oxidothieno[3,2-c]isoquinolin-4-ium?
4-oxidothieno[3,2-c]isoquinolin-4-ium has a molecular weight of 201.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxidothieno[3,2-c]isoquinolin-4-ium is sourced from PubChem (CID 14709354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).