methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate

C22H16N2O3 — CID 100921620

IUPACmethyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C22H16N2O3/c1-26-22(25)16-11-13-17(14-12-16)27-21-20(15-7-3-2-4-8-15)23-18-9-5-6-10-19(18)24-21/h2-14H,1H3
InChIKeyBNGSPFNPPHKONK-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.88
Rot. Bonds4

About methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate

methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate (PubChem CID 100921620) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate
PubChem CID100921620
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Namemethyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate
SMILESCOC(=O)c1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C22H16N2O3/c1-26-22(25)16-11-13-17(14-12-16)27-21-20(15-7-3-2-4-8-15)23-18-9-5-6-10-19(18)24-21/h2-14H,1H3
InChIKeyBNGSPFNPPHKONK-UHFFFAOYSA-N
XLogP4.88
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-phenylphenoxy)benzoate
CID 15230373
methyl 4-(2-pyridin-4-ylquinazolin-4-yl)oxybenzoate
CID 1383405
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
methyl 4-(2H-triazolo[4,5-c]quinolin-4-yl)benzoate
CID 152544816
methyl 4-[(4-phenylquinazolin-2-yl)amino]benzoate
CID 4547091
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
methyl 5,6-diphenyl-3-(4-phenylphenoxy)pyridazine-4-carboxylate
CID 20998270

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate?
The IUPAC name of methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate (CID 100921620) is methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate.
What is the SMILES notation for methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate?
The canonical SMILES for methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate is COC(=O)c1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1.
What is the InChIKey of methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate?
The InChIKey is BNGSPFNPPHKONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-26-22(25)16-11-13-17(14-12-16)27-21-20(15-7-3-2-4-8-15)23-18-9-5-6-10-19(18)24-21/h2-14H,1H3.
What are the key properties of methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate?
methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate has a molecular weight of 356.38 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-phenylquinoxalin-2-yl)oxybenzoate is sourced from PubChem (CID 100921620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).