7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid

C19H11FN2O3S — CID 86776921

IUPAC7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2csc(-c3ccco3)n2)nc2cc(F)ccc12
InChIInChI=1S/C19H11FN2O3S/c20-11-3-6-14-15(19(23)24)9-12(21-16(14)8-11)4-5-13-10-26-18(22-13)17-2-1-7-25-17/h1-10H,(H,23,24)/b5-4+
InChIKeyGWFNNGBRQPIEHC-SNAWJCMRSA-N
MW366.37 g/mol
LogP4.96
Rot. Bonds4

About 7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid

7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid (PubChem CID 86776921) has the molecular formula C19H11FN2O3S and a molecular weight of 366.37 g/mol. Its IUPAC name is 7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid
PubChem CID86776921
Molecular FormulaC19H11FN2O3S
Molecular Weight366.37 g/mol
Exact Mass366.05
IUPAC Name7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(/C=C/c2csc(-c3ccco3)n2)nc2cc(F)ccc12
InChIInChI=1S/C19H11FN2O3S/c20-11-3-6-14-15(19(23)24)9-12(21-16(14)8-11)4-5-13-10-26-18(22-13)17-2-1-7-25-17/h1-10H,(H,23,24)/b5-4+
InChIKeyGWFNNGBRQPIEHC-SNAWJCMRSA-N
XLogP4.96
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid (CID 86776921) is 7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(/C=C/c2csc(-c3ccco3)n2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid?
The InChIKey is GWFNNGBRQPIEHC-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H11FN2O3S/c20-11-3-6-14-15(19(23)24)9-12(21-16(14)8-11)4-5-13-10-26-18(22-13)17-2-1-7-25-17/h1-10H,(H,23,24)/b5-4+.
What are the key properties of 7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid?
7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid has a molecular weight of 366.37 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 86776921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).