6,7-Dimethylthieno[2,3-b]quinoline-2-carboxylic acid

HCID 856467

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Basic information

CAS: 462066-85-9
Standard SMILES: Cc1cc2cc3cc(C(=O)O)sc3nc2cc1C
InChIKey: IOCZHUJWFCSJLR-UHFFFAOYSA-N
Molecular formula: C14H11NO2S
Average molar mass: 257.31 g/mol
Monoisotopic mass: 257.05104977

Names & identifiers

Preferred name: 6,7-Dimethylthieno[2,3-b]quinoline-2-carboxylic acid
IUPAC: 6,7-dimethylthieno[2,3-b]quinoline-2-carboxylic acid

Names & synonyms

BAS 021372106,7-dimethylthieno[2,3-b]quinoline-2-carboxylic acidOprea1_097217Oprea1_801967DTXSID301218035AKOS000589943462066-85-9SR-01000361956SR-01000361956-1

Database identifiers

CAS: 462066-85-9
PubChem CID: 856467
DTXSID: DTXSID301218035

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 78.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 18
Formal charge: 0
Complexity: 349

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