fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate

C13H11F2NO4 — CID 144602812

IUPACfluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate
SMILESCc1cc2c(=O)c(C(=O)OF)cn(CCO)c2cc1F
InChIInChI=1S/C13H11F2NO4/c1-7-4-8-11(5-10(7)14)16(2-3-17)6-9(12(8)18)13(19)20-15/h4-6,17H,2-3H2,1H3
InChIKeyMBRDEGLHLCKHGU-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.48
Rot. Bonds3

About fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate

fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate (PubChem CID 144602812) has the molecular formula C13H11F2NO4 and a molecular weight of 283.23 g/mol. Its IUPAC name is fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Namefluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate
PubChem CID144602812
Molecular FormulaC13H11F2NO4
Molecular Weight283.23 g/mol
Exact Mass283.07
IUPAC Namefluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate
SMILESCc1cc2c(=O)c(C(=O)OF)cn(CCO)c2cc1F
InChIInChI=1S/C13H11F2NO4/c1-7-4-8-11(5-10(7)14)16(2-3-17)6-9(12(8)18)13(19)20-15/h4-6,17H,2-3H2,1H3
InChIKeyMBRDEGLHLCKHGU-UHFFFAOYSA-N
XLogP1.48
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5,6,7-trifluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate
CID 167361002
1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
methyl 6-chloro-1-(2-hydroxyethyl)-5-methylindole-3-carboxylate
CID 83947420
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanone
CID 83947416
7-fluoro-6-[(2-fluoro-3-iodophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
CID 70807612
ethyl 4-oxo-1-propyl-7-(trifluoromethyl)quinoline-3-carboxylate
CID 53418149
[6,7-difluoro-1-(2-fluoroethyl)-4-oxoquinolin-3-yl] hydrogen carbonate
CID 87957353
di(propanoyloxy)boranyl 7-chloro-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylate
CID 10938820
6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane
CID 143833061
7-chloro-6-fluoro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 70388176

Frequently Asked Questions

What is the IUPAC name of fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate (CID 144602812) is fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate is Cc1cc2c(=O)c(C(=O)OF)cn(CCO)c2cc1F.
What is the InChIKey of fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate?
The InChIKey is MBRDEGLHLCKHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO4/c1-7-4-8-11(5-10(7)14)16(2-3-17)6-9(12(8)18)13(19)20-15/h4-6,17H,2-3H2,1H3.
What are the key properties of fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate?
fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate has a molecular weight of 283.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 7-fluoro-1-(2-hydroxyethyl)-6-methyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 144602812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).