ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate

C19H20FNO2 — CID 15232656

IUPACethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate
SMILESCCOC(=O)Cc1ccc2c(c1)CCC(c1ccccc1F)N2
InChIInChI=1S/C19H20FNO2/c1-2-23-19(22)12-13-7-9-17-14(11-13)8-10-18(21-17)15-5-3-4-6-16(15)20/h3-7,9,11,18,21H,2,8,10,12H2,1H3
InChIKeyRPQZGVMESYTXCC-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.03
Rot. Bonds4

About ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate

ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate (PubChem CID 15232656) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate
PubChem CID15232656
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Nameethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate
SMILESCCOC(=O)Cc1ccc2c(c1)CCC(c1ccccc1F)N2
InChIInChI=1S/C19H20FNO2/c1-2-23-19(22)12-13-7-9-17-14(11-13)8-10-18(21-17)15-5-3-4-6-16(15)20/h3-7,9,11,18,21H,2,8,10,12H2,1H3
InChIKeyRPQZGVMESYTXCC-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate?
The IUPAC name of ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate (CID 15232656) is ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate?
The canonical SMILES for ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate is CCOC(=O)Cc1ccc2c(c1)CCC(c1ccccc1F)N2.
What is the InChIKey of ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate?
The InChIKey is RPQZGVMESYTXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-2-23-19(22)12-13-7-9-17-14(11-13)8-10-18(21-17)15-5-3-4-6-16(15)20/h3-7,9,11,18,21H,2,8,10,12H2,1H3.
What are the key properties of ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate?
ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate has a molecular weight of 313.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetate is sourced from PubChem (CID 15232656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).