4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid

C18H11FN2O3S — CID 11233526

IUPAC4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2nc3ccccc3s2)c2cc(F)ccc2n1
InChIInChI=1S/C18H11FN2O3S/c19-10-5-6-12-11(7-10)15(8-14(20-12)18(22)23)24-9-17-21-13-3-1-2-4-16(13)25-17/h1-8H,9H2,(H,22,23)
InChIKeyKJGDWFUDUAQVNV-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.26
Rot. Bonds4

About 4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid

4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid (PubChem CID 11233526) has the molecular formula C18H11FN2O3S and a molecular weight of 354.36 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid
PubChem CID11233526
Molecular FormulaC18H11FN2O3S
Molecular Weight354.36 g/mol
Exact Mass354.05
IUPAC Name4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2nc3ccccc3s2)c2cc(F)ccc2n1
InChIInChI=1S/C18H11FN2O3S/c19-10-5-6-12-11(7-10)15(8-14(20-12)18(22)23)24-9-17-21-13-3-1-2-4-16(13)25-17/h1-8H,9H2,(H,22,23)
InChIKeyKJGDWFUDUAQVNV-UHFFFAOYSA-N
XLogP4.26
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzothiazol-2-ylmethoxy)-3-fluorobenzoic acid
CID 107689778
6-fluoro-4-(2-phenylethoxy)quinoline-2-carboxylic acid
CID 11483742
6-fluoro-4-pentoxyquinoline-2-carboxylic acid
CID 11391767
2-(1,3-benzothiazol-2-ylmethoxy)-5-methylbenzoic acid
CID 60652782
3-amino-4-(1,3-benzothiazol-2-ylmethoxy)benzoic acid
CID 104631513
1-[2-acetyl-6-(1,3-benzothiazol-2-ylmethoxy)quinolin-4-yl]ethanone
CID 155355496
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
2-[[4-(bromomethyl)-2,6-difluorophenoxy]methyl]-1,3-benzothiazole
CID 104631391
1,3-benzothiazol-2-ylmethyl 2-bromo-4-fluorobenzoate
CID 8837375
methyl 4-[(2-chlorophenyl)methoxy]-6-fluoroquinoline-2-carboxylate
CID 53113123
2-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanol
CID 107713086
4-[2-(1,3-benzothiazol-2-ylmethoxy)-N-hydroxyanilino]-4-oxobutanoic acid
CID 23318276

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid?
The IUPAC name of 4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid (CID 11233526) is 4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid is O=C(O)c1cc(OCc2nc3ccccc3s2)c2cc(F)ccc2n1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid?
The InChIKey is KJGDWFUDUAQVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O3S/c19-10-5-6-12-11(7-10)15(8-14(20-12)18(22)23)24-9-17-21-13-3-1-2-4-16(13)25-17/h1-8H,9H2,(H,22,23).
What are the key properties of 4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid?
4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid has a molecular weight of 354.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylmethoxy)-6-fluoroquinoline-2-carboxylic acid is sourced from PubChem (CID 11233526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).