4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid

C18H14FNO2 — CID 170984795

IUPAC4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid
SMILESCc1cc(Cc2ccc(C(=O)O)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C18H14FNO2/c1-11-8-14(16-10-15(19)6-7-17(16)20-11)9-12-2-4-13(5-3-12)18(21)22/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyNKZZOMIIBMICDP-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.97
Rot. Bonds3

About 4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid

4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid (PubChem CID 170984795) has the molecular formula C18H14FNO2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid
PubChem CID170984795
Molecular FormulaC18H14FNO2
Molecular Weight295.31 g/mol
Exact Mass295.10
IUPAC Name4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid
SMILESCc1cc(Cc2ccc(C(=O)O)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C18H14FNO2/c1-11-8-14(16-10-15(19)6-7-17(16)20-11)9-12-2-4-13(5-3-12)18(21)22/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyNKZZOMIIBMICDP-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid?
The IUPAC name of 4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid (CID 170984795) is 4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid is Cc1cc(Cc2ccc(C(=O)O)cc2)c2cc(F)ccc2n1.
What is the InChIKey of 4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid?
The InChIKey is NKZZOMIIBMICDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2/c1-11-8-14(16-10-15(19)6-7-17(16)20-11)9-12-2-4-13(5-3-12)18(21)22/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of 4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid?
4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid has a molecular weight of 295.31 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-2-methylquinolin-4-yl)methyl]benzoic acid is sourced from PubChem (CID 170984795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).