benzyl 2,3-dimethylquinoxaline-6-carboxylate

C18H16N2O2 — CID 2995369

IUPACbenzyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3ccccc3)cc2nc1C
InChIInChI=1S/C18H16N2O2/c1-12-13(2)20-17-10-15(8-9-16(17)19-12)18(21)22-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyFRHNRQBEIBNKLP-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.60
Rot. Bonds3

About benzyl 2,3-dimethylquinoxaline-6-carboxylate

benzyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 2995369) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is benzyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Namebenzyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID2995369
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namebenzyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3ccccc3)cc2nc1C
InChIInChI=1S/C18H16N2O2/c1-12-13(2)20-17-10-15(8-9-16(17)19-12)18(21)22-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyFRHNRQBEIBNKLP-UHFFFAOYSA-N
XLogP3.60
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of benzyl 2,3-dimethylquinoxaline-6-carboxylate (CID 2995369) is benzyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for benzyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for benzyl 2,3-dimethylquinoxaline-6-carboxylate is Cc1nc2ccc(C(=O)OCc3ccccc3)cc2nc1C.
What is the InChIKey of benzyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is FRHNRQBEIBNKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-13(2)20-17-10-15(8-9-16(17)19-12)18(21)22-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of benzyl 2,3-dimethylquinoxaline-6-carboxylate?
benzyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 2995369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).