methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate

C13H16FNO2 — CID 117193410

IUPACmethyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate
SMILESCCC1(C(=O)OC)CCc2c(F)cccc2N1
InChIInChI=1S/C13H16FNO2/c1-3-13(12(16)17-2)8-7-9-10(14)5-4-6-11(9)15-13/h4-6,15H,3,7-8H2,1-2H3
InChIKeyPZAXJKKTPPLGJG-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.51
Rot. Bonds2

About methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate

methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate (PubChem CID 117193410) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate
PubChem CID117193410
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate
SMILESCCC1(C(=O)OC)CCc2c(F)cccc2N1
InChIInChI=1S/C13H16FNO2/c1-3-13(12(16)17-2)8-7-9-10(14)5-4-6-11(9)15-13/h4-6,15H,3,7-8H2,1-2H3
InChIKeyPZAXJKKTPPLGJG-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate (CID 117193410) is methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate is CCC1(C(=O)OC)CCc2c(F)cccc2N1.
What is the InChIKey of methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate?
The InChIKey is PZAXJKKTPPLGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-13(12(16)17-2)8-7-9-10(14)5-4-6-11(9)15-13/h4-6,15H,3,7-8H2,1-2H3.
What are the key properties of methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate?
methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-fluoro-3,4-dihydro-1H-quinoline-2-carboxylate is sourced from PubChem (CID 117193410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).