(4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate

C22H15ClN2O3 — CID 175252709

IUPAC(4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc(Oc2cnc3ccccc3n2)cc1
InChIInChI=1S/C22H15ClN2O3/c23-17-9-5-15(6-10-17)14-27-22(26)16-7-11-18(12-8-16)28-21-13-24-19-3-1-2-4-20(19)25-21/h1-13H,14H2
InChIKeyJXRVRFYKYBLGHA-UHFFFAOYSA-N
MW390.83 g/mol
LogP5.43
Rot. Bonds5

About (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate

(4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate (PubChem CID 175252709) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate
PubChem CID175252709
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC Name(4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate
SMILESO=C(OCc1ccc(Cl)cc1)c1ccc(Oc2cnc3ccccc3n2)cc1
InChIInChI=1S/C22H15ClN2O3/c23-17-9-5-15(6-10-17)14-27-22(26)16-7-11-18(12-8-16)28-21-13-24-19-3-1-2-4-20(19)25-21/h1-13H,14H2
InChIKeyJXRVRFYKYBLGHA-UHFFFAOYSA-N
XLogP5.43
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.83
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate 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

(3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate
CID 175252031
(4-quinoxalin-2-yloxyphenyl)methanol
CID 79868894
(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 6459752
(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
CID 599354
(4-chlorophenyl)methyl quinoline-2-carboxylate
CID 2630806
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
(4-methoxyphenyl)methyl 4-pyridin-3-yloxybenzoate
CID 60588638
N-(4-quinoxalin-2-yloxyphenyl)acetamide
CID 1473207
[4-[2-[4-(benzoyloxymethyl)phenoxy]ethoxy]phenyl]methyl benzoate
CID 175261342
2-fluoro-4-quinoxalin-2-yloxybenzoic acid
CID 107677384
(4-chlorophenyl)methyl 4-cyanobenzoate
CID 2592542
quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate
CID 10832034

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate?
The IUPAC name of (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate (CID 175252709) is (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate?
The canonical SMILES for (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate is O=C(OCc1ccc(Cl)cc1)c1ccc(Oc2cnc3ccccc3n2)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate?
The InChIKey is JXRVRFYKYBLGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c23-17-9-5-15(6-10-17)14-27-22(26)16-7-11-18(12-8-16)28-21-13-24-19-3-1-2-4-20(19)25-21/h1-13H,14H2.
What are the key properties of (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate?
(4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate has a molecular weight of 390.83 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 4-quinoxalin-2-yloxybenzoate is sourced from PubChem (CID 175252709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).