1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid

C18H12F2N2O3S — CID 14554998

IUPAC1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c(Sc3ccncc3)c(F)cc2c1=O
InChIInChI=1S/C18H12F2N2O3S/c19-13-7-11-15(14(20)17(13)26-10-3-5-21-6-4-10)22(9-1-2-9)8-12(16(11)23)18(24)25/h3-9H,1-2H2,(H,24,25)
InChIKeyTYYRYQGOIAQGAF-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.86
Rot. Bonds4

About 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid

1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid (PubChem CID 14554998) has the molecular formula C18H12F2N2O3S and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid
PubChem CID14554998
Molecular FormulaC18H12F2N2O3S
Molecular Weight374.37 g/mol
Exact Mass374.05
IUPAC Name1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c(Sc3ccncc3)c(F)cc2c1=O
InChIInChI=1S/C18H12F2N2O3S/c19-13-7-11-15(14(20)17(13)26-10-3-5-21-6-4-10)22(9-1-2-9)8-12(16(11)23)18(24)25/h3-9H,1-2H2,(H,24,25)
InChIKeyTYYRYQGOIAQGAF-UHFFFAOYSA-N
XLogP3.86
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912
1-cyclopropyl-6,8-difluoro-7-(imidazol-1-ylmethyl)-4-oxoquinoline-3-carboxylic acid
CID 122197410
7-(2-aminoethylsulfanyl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 70397908
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143715301
7-(2-aminopropoxy)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14846355
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300
1-cyclopropyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14476717
1-cyclopropyl-7-[(N-ethylanilino)methyl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 122197411
7-(3-amino-2,2-dimethylazetidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10021592
1-cyclopropyl-7-[(2S,3S)-2-ethyl-3-hydroxyazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10090157
7-[(cyclohexylamino)methyl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 122197409

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid (CID 14554998) is 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(F)c(Sc3ccncc3)c(F)cc2c1=O.
What is the InChIKey of 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid?
The InChIKey is TYYRYQGOIAQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O3S/c19-13-7-11-15(14(20)17(13)26-10-3-5-21-6-4-10)22(9-1-2-9)8-12(16(11)23)18(24)25/h3-9H,1-2H2,(H,24,25).
What are the key properties of 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid?
1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,8-difluoro-4-oxo-7-pyridin-4-ylsulfanylquinoline-3-carboxylic acid is sourced from PubChem (CID 14554998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).