ethyl 3,8-dimethylquinoxaline-2-carboxylate

C13H14N2O2 — CID 67396777

IUPACethyl 3,8-dimethylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(C)cccc2nc1C
InChIInChI=1S/C13H14N2O2/c1-4-17-13(16)12-9(3)14-10-7-5-6-8(2)11(10)15-12/h5-7H,4H2,1-3H3
InChIKeyPBWDZOYPCOASDK-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.42
Rot. Bonds2

About ethyl 3,8-dimethylquinoxaline-2-carboxylate

ethyl 3,8-dimethylquinoxaline-2-carboxylate (PubChem CID 67396777) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is ethyl 3,8-dimethylquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,8-dimethylquinoxaline-2-carboxylate
PubChem CID67396777
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Nameethyl 3,8-dimethylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(C)cccc2nc1C
InChIInChI=1S/C13H14N2O2/c1-4-17-13(16)12-9(3)14-10-7-5-6-8(2)11(10)15-12/h5-7H,4H2,1-3H3
InChIKeyPBWDZOYPCOASDK-UHFFFAOYSA-N
XLogP2.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl phenazine-1,6-dicarboxylate
CID 71514835
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 4-amino-2,5-dimethylquinoline-3-carboxylate
CID 66746516
ethyl 3-amino-4-bromo-1,5-naphthyridine-2-carboxylate
CID 171645238
ethyl 3-[[3-(3,8-dimethylquinoxalin-2-yl)-1,2,6-triazabicyclo[3.1.0]hexa-2,4-dien-6-yl]amino]-3-oxopropanoate
CID 141412824
ethyl 2-(2-amino-3-carbamoyl-5-methylquinoxalin-1-ium-1-yl)-2-oxoacetate bromide
CID 157189424
ethyl 3,4-difluoroquinoline-2-carboxylate
CID 175398160
ethyl 5-methyl-2-(2-methylphenyl)triazole-4-carboxylate
CID 50873970
ethyl 5-bromo-3-ethylquinoline-2-carboxylate
CID 176885613
ethyl 4-amino-5-chloro-2-methylquinoline-3-carboxylate
CID 11780400
ethyl 3-methyl-1-oxidoquinoxalin-1-ium-2-carboxylate
CID 588623
ethyl 2H-benzotriazole-4-carboxylate
CID 14534407

Frequently Asked Questions

What is the IUPAC name of ethyl 3,8-dimethylquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3,8-dimethylquinoxaline-2-carboxylate (CID 67396777) is ethyl 3,8-dimethylquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3,8-dimethylquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3,8-dimethylquinoxaline-2-carboxylate is CCOC(=O)c1nc2c(C)cccc2nc1C.
What is the InChIKey of ethyl 3,8-dimethylquinoxaline-2-carboxylate?
The InChIKey is PBWDZOYPCOASDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-4-17-13(16)12-9(3)14-10-7-5-6-8(2)11(10)15-12/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 3,8-dimethylquinoxaline-2-carboxylate?
ethyl 3,8-dimethylquinoxaline-2-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,8-dimethylquinoxaline-2-carboxylate is sourced from PubChem (CID 67396777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).