2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid

C17H15ClFNO2 — CID 15232662

IUPAC2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c2c(c1)CCC(c1ccccc1F)N2
InChIInChI=1S/C17H15ClFNO2/c18-13-8-10(9-16(21)22)7-11-5-6-15(20-17(11)13)12-3-1-2-4-14(12)19/h1-4,7-8,15,20H,5-6,9H2,(H,21,22)
InChIKeyXUUMOLKELCYRCF-UHFFFAOYSA-N
MW319.76 g/mol
LogP4.21
Rot. Bonds3

About 2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid

2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid (PubChem CID 15232662) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is 2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid
PubChem CID15232662
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC Name2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c2c(c1)CCC(c1ccccc1F)N2
InChIInChI=1S/C17H15ClFNO2/c18-13-8-10(9-16(21)22)7-11-5-6-15(20-17(11)13)12-3-1-2-4-14(12)19/h1-4,7-8,15,20H,5-6,9H2,(H,21,22)
InChIKeyXUUMOLKELCYRCF-UHFFFAOYSA-N
XLogP4.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
The IUPAC name of 2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid (CID 15232662) is 2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid.
What is the SMILES notation for 2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
The canonical SMILES for 2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid is O=C(O)Cc1cc(Cl)c2c(c1)CCC(c1ccccc1F)N2.
What is the InChIKey of 2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
The InChIKey is XUUMOLKELCYRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c18-13-8-10(9-16(21)22)7-11-5-6-15(20-17(11)13)12-3-1-2-4-14(12)19/h1-4,7-8,15,20H,5-6,9H2,(H,21,22).
What are the key properties of 2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid?
2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid has a molecular weight of 319.76 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-2-(2-fluorophenyl)-1,2,3,4-tetrahydroquinolin-6-yl]acetic acid is sourced from PubChem (CID 15232662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).