benzyl 3-phenylquinoxaline-2-carboxylate

C22H16N2O2 — CID 132508697

IUPACbenzyl 3-phenylquinoxaline-2-carboxylate
SMILESO=C(OCc1ccccc1)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-22(26-15-16-9-3-1-4-10-16)21-20(17-11-5-2-6-12-17)23-18-13-7-8-14-19(18)24-21/h1-14H,15H2
InChIKeyXOTCOUGAFVRBHT-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.65
Rot. Bonds4

About benzyl 3-phenylquinoxaline-2-carboxylate

benzyl 3-phenylquinoxaline-2-carboxylate (PubChem CID 132508697) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is benzyl 3-phenylquinoxaline-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3-phenylquinoxaline-2-carboxylate
PubChem CID132508697
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Namebenzyl 3-phenylquinoxaline-2-carboxylate
SMILESO=C(OCc1ccccc1)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C22H16N2O2/c25-22(26-15-16-9-3-1-4-10-16)21-20(17-11-5-2-6-12-17)23-18-13-7-8-14-19(18)24-21/h1-14H,15H2
InChIKeyXOTCOUGAFVRBHT-UHFFFAOYSA-N
XLogP4.65
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylphenyl)methyl quinoline-2-carboxylate
CID 4968223
tribenzyl 2-aminopyrimidine-4,5,6-tricarboxylate
CID 167060658
benzyl (5Z,7Z,9Z)-5,6,7,8,9,10-hexafluoro-3-phenylimidazo[1,5-a]azocine-1-carboxylate
CID 44605351
(4-chlorophenyl)methyl 5-phenyl-2H-triazole-4-carboxylate
CID 100663799
benzyl 3-methyl-6,7-bis(phenylmethoxy)quinoxaline-2-carboxylate
CID 86747625
benzyl 5-tert-butyl-2-phenyl-1,3-thiazole-4-carboxylate
CID 44557232
benzyl benzoate
CID 2345
tetrabenzyl 6-methylpyridine-2,3,4,5-tetracarboxylate
CID 126657451
benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate
CID 123351569
benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate
CID 10272079
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
benzyl 3-chloro-5,6-difluoro-4-methylpyridine-2-carboxylate
CID 146489593

Frequently Asked Questions

What is the IUPAC name of benzyl 3-phenylquinoxaline-2-carboxylate?
The IUPAC name of benzyl 3-phenylquinoxaline-2-carboxylate (CID 132508697) is benzyl 3-phenylquinoxaline-2-carboxylate.
What is the SMILES notation for benzyl 3-phenylquinoxaline-2-carboxylate?
The canonical SMILES for benzyl 3-phenylquinoxaline-2-carboxylate is O=C(OCc1ccccc1)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of benzyl 3-phenylquinoxaline-2-carboxylate?
The InChIKey is XOTCOUGAFVRBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-22(26-15-16-9-3-1-4-10-16)21-20(17-11-5-2-6-12-17)23-18-13-7-8-14-19(18)24-21/h1-14H,15H2.
What are the key properties of benzyl 3-phenylquinoxaline-2-carboxylate?
benzyl 3-phenylquinoxaline-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-phenylquinoxaline-2-carboxylate is sourced from PubChem (CID 132508697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).