2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid

C18H14FNO2 — CID 18073377

IUPAC2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C18H14FNO2/c1-11-14-4-2-3-5-16(14)20-18(15(11)10-17(21)22)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,21,22)
InChIKeyMLUKNCXYFJZBND-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.98
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid

2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid (PubChem CID 18073377) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
PubChem CID18073377
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C18H14FNO2/c1-11-14-4-2-3-5-16(14)20-18(15(11)10-17(21)22)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,21,22)
InChIKeyMLUKNCXYFJZBND-UHFFFAOYSA-N
XLogP3.98
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid (CID 18073377) is 2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid is Cc1c(CC(=O)O)c(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid?
The InChIKey is MLUKNCXYFJZBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-11-14-4-2-3-5-16(14)20-18(15(11)10-17(21)22)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of 2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid?
2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 18073377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).