4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid

C17H12FNO3 — CID 142907394

IUPAC4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
SMILESO=C(O)c1ccc(COc2cc(F)nc3ccccc23)cc1
InChIInChI=1S/C17H12FNO3/c18-16-9-15(13-3-1-2-4-14(13)19-16)22-10-11-5-7-12(8-6-11)17(20)21/h1-9H,10H2,(H,20,21)
InChIKeyOZNWOYCWEDHAIJ-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.65
Rot. Bonds4

About 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid

4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid (PubChem CID 142907394) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
PubChem CID142907394
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Name4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
SMILESO=C(O)c1ccc(COc2cc(F)nc3ccccc23)cc1
InChIInChI=1S/C17H12FNO3/c18-16-9-15(13-3-1-2-4-14(13)19-16)22-10-11-5-7-12(8-6-11)17(20)21/h1-9H,10H2,(H,20,21)
InChIKeyOZNWOYCWEDHAIJ-UHFFFAOYSA-N
XLogP3.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907385
phenyl-(4-phenylmethoxyquinolin-2-yl)methanone
CID 21478950
4-[2,4-bis(phenylmethoxy)quinolin-3-yl]benzoic acid
CID 71469690
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220
2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid
CID 11741515
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
4-phenylmethoxyquinazoline-7-carboxylic acid
CID 63262504
4-(pyridin-2-yloxymethyl)benzoic acid
CID 21105508
4-phenylmethoxybenzoic acid
CID 68896574
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid?
The IUPAC name of 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid (CID 142907394) is 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid.
What is the SMILES notation for 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid?
The canonical SMILES for 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid is O=C(O)c1ccc(COc2cc(F)nc3ccccc23)cc1.
What is the InChIKey of 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid?
The InChIKey is OZNWOYCWEDHAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c18-16-9-15(13-3-1-2-4-14(13)19-16)22-10-11-5-7-12(8-6-11)17(20)21/h1-9H,10H2,(H,20,21).
What are the key properties of 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid?
4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid has a molecular weight of 297.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid is sourced from PubChem (CID 142907394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).