8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid

C18H13FN2O3 — CID 54586510

IUPAC8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C/C=C/c2cccnc2)c2c(F)cccc2c1=O
InChIInChI=1S/C18H13FN2O3/c19-15-7-1-6-13-16(15)21(11-14(17(13)22)18(23)24)9-3-5-12-4-2-8-20-10-12/h1-8,10-11H,9H2,(H,23,24)/b5-3+
InChIKeyKQIYXIDUQYTXCE-HWKANZROSA-N
MW324.31 g/mol
LogP2.95
Rot. Bonds4

About 8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid

8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid (PubChem CID 54586510) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid
PubChem CID54586510
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C/C=C/c2cccnc2)c2c(F)cccc2c1=O
InChIInChI=1S/C18H13FN2O3/c19-15-7-1-6-13-16(15)21(11-14(17(13)22)18(23)24)9-3-5-12-4-2-8-20-10-12/h1-8,10-11H,9H2,(H,23,24)/b5-3+
InChIKeyKQIYXIDUQYTXCE-HWKANZROSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-fluoro-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid
CID 82250393
8-fluoro-4-oxo-1-[(4-pyrimidin-5-ylphenyl)methyl]quinoline-3-carboxylic acid
CID 46225417
8-fluoro-4-oxo-1-[(4-pyrazol-1-ylphenyl)methyl]quinoline-3-carboxylic acid
CID 46232368
1-[[4-(6-chloro-3-pyridinyl)phenyl]methyl]-8-fluoro-4-oxoquinoline-3-carboxylic acid
CID 24968496
8-fluoro-1-[[4-[6-(methylamino)-3-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967791
8-fluoro-1-[(4-methylsulfonylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 46225486
8-fluoro-1-[[4-(4-methoxyphenyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967424
4-pyridin-3-ylbut-3-enoic acid
CID 439
8-fluoro-1-[[4-[6-(hydroxymethyl)-2-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46225382
8-fluoro-1-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967789
4-oxo-1-prop-2-enyl-1,8-naphthyridine-3-carboxylic acid
CID 70598090
5,8-difluoro-1-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 24967064

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid?
The IUPAC name of 8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid (CID 54586510) is 8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid?
The canonical SMILES for 8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid is O=C(O)c1cn(C/C=C/c2cccnc2)c2c(F)cccc2c1=O.
What is the InChIKey of 8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid?
The InChIKey is KQIYXIDUQYTXCE-HWKANZROSA-N. The full InChI is InChI=1S/C18H13FN2O3/c19-15-7-1-6-13-16(15)21(11-14(17(13)22)18(23)24)9-3-5-12-4-2-8-20-10-12/h1-8,10-11H,9H2,(H,23,24)/b5-3+.
What are the key properties of 8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid?
8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid has a molecular weight of 324.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-oxo-1-[(E)-3-pyridin-3-ylprop-2-enyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 54586510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).