4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline

C12H16FN — CID 90169120

IUPAC4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline
SMILESCCC1CCN(C)c2c(F)cccc21
InChIInChI=1S/C12H16FN/c1-3-9-7-8-14(2)12-10(9)5-4-6-11(12)13/h4-6,9H,3,7-8H2,1-2H3
InChIKeyWRPDRAIVNGERSP-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.16
Rot. Bonds1

About 4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline

4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 90169120) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID90169120
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline
SMILESCCC1CCN(C)c2c(F)cccc21
InChIInChI=1S/C12H16FN/c1-3-9-7-8-14(2)12-10(9)5-4-6-11(12)13/h4-6,9H,3,7-8H2,1-2H3
InChIKeyWRPDRAIVNGERSP-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline (CID 90169120) is 4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline is CCC1CCN(C)c2c(F)cccc21.
What is the InChIKey of 4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is WRPDRAIVNGERSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-3-9-7-8-14(2)12-10(9)5-4-6-11(12)13/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline?
4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 193.27 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-8-fluoro-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 90169120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).