4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid

C16H10ClFN2O3 — CID 141191905

IUPAC4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1c(Cl)c2cc(F)ccc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C16H10ClFN2O3/c17-14-11-7-9(18)4-5-12(11)20(15(21)13(14)16(22)23)8-10-3-1-2-6-19-10/h1-7H,8H2,(H,22,23)
InChIKeyYHDJRAUXMNESTO-UHFFFAOYSA-N
MW332.72 g/mol
LogP2.94
Rot. Bonds3

About 4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid

4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid (PubChem CID 141191905) has the molecular formula C16H10ClFN2O3 and a molecular weight of 332.72 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
PubChem CID141191905
Molecular FormulaC16H10ClFN2O3
Molecular Weight332.72 g/mol
Exact Mass332.04
IUPAC Name4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
SMILESO=C(O)c1c(Cl)c2cc(F)ccc2n(Cc2ccccn2)c1=O
InChIInChI=1S/C16H10ClFN2O3/c17-14-11-7-9(18)4-5-12(11)20(15(21)13(14)16(22)23)8-10-3-1-2-6-19-10/h1-7H,8H2,(H,22,23)
InChIKeyYHDJRAUXMNESTO-UHFFFAOYSA-N
XLogP2.94
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid
CID 141191896
ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 145212635
5-fluoro-1-(pyridin-2-ylmethyl)indole
CID 55257545
5-benzyl-2-chloro-9-fluorophenanthridin-6-one
CID 134974780
4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 157226605
ethyl 6-methyl-2-oxo-4-piperazin-1-yl-1-(pyridin-2-ylmethyl)quinoline-3-carboxylate
CID 59740514
2-chloro-5-fluoro-1-propylindole-3-carboxylic acid
CID 82268779
2-chloro-5-fluoro-1-(2-methylpropyl)indole-3-carboxylic acid
CID 82268787
1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid
CID 54679961
1-(2-chloro-4-fluorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46556545
5-hydroxy-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid
CID 175952620
methyl 2-[5-fluoro-2-methyl-3-[[6-oxo-1-(pyridin-2-ylmethyl)pyridazin-3-yl]methyl]indol-1-yl]acetate
CID 67150745

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
The IUPAC name of 4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid (CID 141191905) is 4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
The canonical SMILES for 4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid is O=C(O)c1c(Cl)c2cc(F)ccc2n(Cc2ccccn2)c1=O.
What is the InChIKey of 4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
The InChIKey is YHDJRAUXMNESTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O3/c17-14-11-7-9(18)4-5-12(11)20(15(21)13(14)16(22)23)8-10-3-1-2-6-19-10/h1-7H,8H2,(H,22,23).
What are the key properties of 4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid?
4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid has a molecular weight of 332.72 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2-oxo-1-(pyridin-2-ylmethyl)quinoline-3-carboxylic acid is sourced from PubChem (CID 141191905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).