4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid

C17H11ClFNO4 — CID 11268045

IUPAC4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
SMILESCOc1cc2nccc(Oc3ccc(Cl)cc3F)c2cc1C(=O)O
InChIInChI=1S/C17H11ClFNO4/c1-23-16-8-13-10(7-11(16)17(21)22)14(4-5-20-13)24-15-3-2-9(18)6-12(15)19/h2-8H,1H3,(H,21,22)
InChIKeyGJTXYVLYNUGJMP-UHFFFAOYSA-N
MW347.73 g/mol
LogP4.53
Rot. Bonds4

About 4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid

4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid (PubChem CID 11268045) has the molecular formula C17H11ClFNO4 and a molecular weight of 347.73 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
PubChem CID11268045
Molecular FormulaC17H11ClFNO4
Molecular Weight347.73 g/mol
Exact Mass347.04
IUPAC Name4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid
SMILESCOc1cc2nccc(Oc3ccc(Cl)cc3F)c2cc1C(=O)O
InChIInChI=1S/C17H11ClFNO4/c1-23-16-8-13-10(7-11(16)17(21)22)14(4-5-20-13)24-15-3-2-9(18)6-12(15)19/h2-8H,1H3,(H,21,22)
InChIKeyGJTXYVLYNUGJMP-UHFFFAOYSA-N
XLogP4.53
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-2-chlorophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 123279032
4-(4-amino-2-fluorophenoxy)-7-methoxy-N,N-dimethylquinoline-6-carboxamide
CID 155779628
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
methyl 4-(2-fluoro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylate
CID 66916355
4-(4-amino-3-methylphenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 141052127
4-(4-chloro-3-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 22936444
4-(3-chloro-4-nitrophenoxy)-7-methoxyquinoline-6-carboxylic acid
CID 134333908
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
2-[4-(4-chloro-2-fluorophenoxy)-7-methoxyquinolin-6-yl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]acetamide
CID 139932141
4-[4-(carbamoylamino)-3-chlorophenoxy]-7-methoxyquinoline-6-carboxylic acid;hydrochloride
CID 171394597
4-chloro-2-quinolin-4-yloxybenzoic acid
CID 61395926

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid?
The IUPAC name of 4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid (CID 11268045) is 4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid?
The canonical SMILES for 4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid is COc1cc2nccc(Oc3ccc(Cl)cc3F)c2cc1C(=O)O.
What is the InChIKey of 4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid?
The InChIKey is GJTXYVLYNUGJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO4/c1-23-16-8-13-10(7-11(16)17(21)22)14(4-5-20-13)24-15-3-2-9(18)6-12(15)19/h2-8H,1H3,(H,21,22).
What are the key properties of 4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid?
4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid has a molecular weight of 347.73 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid is sourced from PubChem (CID 11268045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).