ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate

C19H18N2O2 — CID 10542694

IUPACethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-4-23-19(22)18-17(14-8-6-5-7-9-14)20-15-10-12(2)13(3)11-16(15)21-18/h5-11H,4H2,1-3H3
InChIKeyRTVBSARHCIPCMD-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.09
Rot. Bonds3

About ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate

ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate (PubChem CID 10542694) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate
PubChem CID10542694
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Nameethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c1-4-23-19(22)18-17(14-8-6-5-7-9-14)20-15-10-12(2)13(3)11-16(15)21-18/h5-11H,4H2,1-3H3
InChIKeyRTVBSARHCIPCMD-UHFFFAOYSA-N
XLogP4.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate?
The IUPAC name of ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate (CID 10542694) is ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(C)c(C)cc2nc1-c1ccccc1.
What is the InChIKey of ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate?
The InChIKey is RTVBSARHCIPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-4-23-19(22)18-17(14-8-6-5-7-9-14)20-15-10-12(2)13(3)11-16(15)21-18/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate?
ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dimethyl-3-phenylquinoxaline-2-carboxylate is sourced from PubChem (CID 10542694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).