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

C19H11FN2O3S — CID 91941314

IUPAC7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2csc(-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)
InChIKeyGWFNNGBRQPIEHC-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.96
Rot. Bonds4

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

7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid (PubChem CID 91941314) has the molecular formula C19H11FN2O3S and a molecular weight of 366.37 g/mol. Its IUPAC name is 7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid
PubChem CID91941314
Molecular FormulaC19H11FN2O3S
Molecular Weight366.37 g/mol
Exact Mass366.05
IUPAC Name7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(C=Cc2csc(-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)
InChIKeyGWFNNGBRQPIEHC-UHFFFAOYSA-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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Related Compounds

7-fluoro-2-[(E)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid
CID 86776921
3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 78905666
4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]benzonitrile
CID 78905650
3-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(4-nitrophenyl)prop-2-en-1-one
CID 78905646
N-(3-fluorophenyl)-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 36654704
7-fluoro-2-(1,3-thiazol-2-yl)quinoline-4-carboxylic acid
CID 64988226
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
7-fluoroquinoline-4-carboxylic acid
CID 18475507
7-fluoro-2-(3-methylthiophen-2-yl)quinoline-4-carboxylic acid
CID 63992799
N-[4-[3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-enoyl]phenyl]methanesulfonamide
CID 72684481
2-(4-fluorophenyl)-1-[4-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]ethanone
CID 46441757
(E)-1-(2,4-difluorophenyl)-3-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 47056722

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid?
The IUPAC name of 7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid (CID 91941314) is 7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid?
The canonical SMILES for 7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid is O=C(O)c1cc(C=Cc2csc(-c3ccco3)n2)nc2cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid?
The InChIKey is GWFNNGBRQPIEHC-UHFFFAOYSA-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).
What are the key properties of 7-fluoro-2-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid?
7-fluoro-2-[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-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]ethenyl]quinoline-4-carboxylic acid is sourced from PubChem (CID 91941314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).