2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate

C22H12ClFNO3- — CID 7097759

IUPAC2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate
SMILESO=C([O-])c1c(Oc2ccc(F)cc2)c(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H13ClFNO3/c23-14-7-5-13(6-8-14)20-21(28-16-11-9-15(24)10-12-16)19(22(26)27)17-3-1-2-4-18(17)25-20/h1-12H,(H,26,27)/p-1
InChIKeyYIYFUGLOIRQVOA-UHFFFAOYSA-M
MW392.79 g/mol
LogP4.85
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate

2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate (PubChem CID 7097759) has the molecular formula C22H12ClFNO3- and a molecular weight of 392.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate
PubChem CID7097759
Molecular FormulaC22H12ClFNO3-
Molecular Weight392.79 g/mol
Exact Mass392.05
IUPAC Name2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate
SMILESO=C([O-])c1c(Oc2ccc(F)cc2)c(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C22H13ClFNO3/c23-14-7-5-13(6-8-14)20-21(28-16-11-9-15(24)10-12-16)19(22(26)27)17-3-1-2-4-18(17)25-20/h1-12H,(H,26,27)/p-1
InChIKeyYIYFUGLOIRQVOA-UHFFFAOYSA-M
XLogP4.85
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-(4-phenoxyphenyl)quinoline-4-carboxylic acid
CID 14498175
2-(4-chlorophenyl)-6-fluoro-3-hydroxyquinoline-4-carboxylic acid
CID 14498162
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247
3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 4134698
(4-chlorophenyl) acridine-9-carboxylate
CID 609870
dilithium bis(2-ethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenoxy]quinoline-4-carboxylate)
CID 139620443
3-(4-fluorophenyl)cinnoline-4-carboxylic acid
CID 125493041
2-[[4-[4-(4-fluorophenoxy)phenyl]quinazolin-2-yl]amino]butanediamide
CID 66980134
6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylate
CID 86309017
2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 3508293
2-[2-(4-fluorophenyl)-4-methylquinolin-3-yl]acetic acid
CID 18073377
4-bromo-2-(4-chlorophenyl)quinolin-3-ol
CID 177441315

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate (CID 7097759) is 2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate is O=C([O-])c1c(Oc2ccc(F)cc2)c(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate?
The InChIKey is YIYFUGLOIRQVOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H13ClFNO3/c23-14-7-5-13(6-8-14)20-21(28-16-11-9-15(24)10-12-16)19(22(26)27)17-3-1-2-4-18(17)25-20/h1-12H,(H,26,27)/p-1.
What are the key properties of 2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate?
2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate has a molecular weight of 392.79 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-fluorophenoxy)quinoline-4-carboxylate is sourced from PubChem (CID 7097759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).