(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

C23H15F2NO2 — CID 23940568

IUPAC(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESO=C(OCc1ccccc1F)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C23H15F2NO2/c24-17-11-9-15(10-12-17)22-13-19(18-6-2-4-8-21(18)26-22)23(27)28-14-16-5-1-3-7-20(16)25/h1-13H,14H2
InChIKeyZSDKXUQHNBWCBY-UHFFFAOYSA-N
MW375.37 g/mol
LogP5.54
Rot. Bonds4

About (2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate (PubChem CID 23940568) has the molecular formula C23H15F2NO2 and a molecular weight of 375.37 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
PubChem CID23940568
Molecular FormulaC23H15F2NO2
Molecular Weight375.37 g/mol
Exact Mass375.11
IUPAC Name(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESO=C(OCc1ccccc1F)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C23H15F2NO2/c24-17-11-9-15(10-12-17)22-13-19(18-6-2-4-8-21(18)26-22)23(27)28-14-16-5-1-3-7-20(16)25/h1-13H,14H2
InChIKeyZSDKXUQHNBWCBY-UHFFFAOYSA-N
XLogP5.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.37
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 7701146
naphthalen-1-ylmethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3964201
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
naphthalen-1-ylmethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 3939151
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 16527478
[2-(4-ethylphenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3353845
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547
(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2433435
2-(2,4-dichlorophenoxy)ethyl 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 3321077
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780546
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780545
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate (CID 23940568) is (2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate is O=C(OCc1ccccc1F)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of (2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
The InChIKey is ZSDKXUQHNBWCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2NO2/c24-17-11-9-15(10-12-17)22-13-19(18-6-2-4-8-21(18)26-22)23(27)28-14-16-5-1-3-7-20(16)25/h1-13H,14H2.
What are the key properties of (2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate?
(2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate has a molecular weight of 375.37 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 23940568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).