(3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate

C22H14ClFN2O3 — CID 175252031

IUPAC(3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate
SMILESO=C(OCc1cccc(F)c1)c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H14ClFN2O3/c23-16-6-9-19-20(11-16)25-12-21(26-19)29-18-7-4-15(5-8-18)22(27)28-13-14-2-1-3-17(24)10-14/h1-12H,13H2
InChIKeyFHSXBNLHDQGIBF-UHFFFAOYSA-N
MW408.82 g/mol
LogP5.57
Rot. Bonds5

About (3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate

(3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate (PubChem CID 175252031) has the molecular formula C22H14ClFN2O3 and a molecular weight of 408.82 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate
PubChem CID175252031
Molecular FormulaC22H14ClFN2O3
Molecular Weight408.82 g/mol
Exact Mass408.07
IUPAC Name(3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate
SMILESO=C(OCc1cccc(F)c1)c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C22H14ClFN2O3/c23-16-6-9-19-20(11-16)25-12-21(26-19)29-18-7-4-15(5-8-18)22(27)28-13-14-2-1-3-17(24)10-14/h1-12H,13H2
InChIKeyFHSXBNLHDQGIBF-UHFFFAOYSA-N
XLogP5.57
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.82
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate
CID 175252709
(3-chlorophenyl)methyl quinoxaline-6-carboxylate
CID 7677097
(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 2224729
(3-fluorophenyl)methyl 1,3-benzothiazole-6-carboxylate
CID 18080757
(3-fluorophenyl)methyl 5-chloro-2-hydroxybenzoate
CID 1252914
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide
CID 134106584
(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 138404247
(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 65124799
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458
2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate
CID 151905720
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate?
The IUPAC name of (3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate (CID 175252031) is (3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate.
What is the SMILES notation for (3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate?
The canonical SMILES for (3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate is O=C(OCc1cccc(F)c1)c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of (3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate?
The InChIKey is FHSXBNLHDQGIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O3/c23-16-6-9-19-20(11-16)25-12-21(26-19)29-18-7-4-15(5-8-18)22(27)28-13-14-2-1-3-17(24)10-14/h1-12H,13H2.
What are the key properties of (3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate?
(3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate has a molecular weight of 408.82 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate is sourced from PubChem (CID 175252031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).