methyl 3-chloro-2-methylquinoxaline-6-carboxylate

C11H9ClN2O2 — CID 131355997

IUPACmethyl 3-chloro-2-methylquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)c(Cl)nc2c1
InChIInChI=1S/C11H9ClN2O2/c1-6-10(12)14-9-5-7(11(15)16-2)3-4-8(9)13-6/h3-5H,1-2H3
InChIKeySCGYPXIDYFFWEX-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.38
Rot. Bonds1

About methyl 3-chloro-2-methylquinoxaline-6-carboxylate

methyl 3-chloro-2-methylquinoxaline-6-carboxylate (PubChem CID 131355997) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is methyl 3-chloro-2-methylquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-2-methylquinoxaline-6-carboxylate
PubChem CID131355997
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Namemethyl 3-chloro-2-methylquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C)c(Cl)nc2c1
InChIInChI=1S/C11H9ClN2O2/c1-6-10(12)14-9-5-7(11(15)16-2)3-4-8(9)13-6/h3-5H,1-2H3
InChIKeySCGYPXIDYFFWEX-UHFFFAOYSA-N
XLogP2.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-methylquinoxaline-6-carboxylate?
The IUPAC name of methyl 3-chloro-2-methylquinoxaline-6-carboxylate (CID 131355997) is methyl 3-chloro-2-methylquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 3-chloro-2-methylquinoxaline-6-carboxylate?
The canonical SMILES for methyl 3-chloro-2-methylquinoxaline-6-carboxylate is COC(=O)c1ccc2nc(C)c(Cl)nc2c1.
What is the InChIKey of methyl 3-chloro-2-methylquinoxaline-6-carboxylate?
The InChIKey is SCGYPXIDYFFWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-6-10(12)14-9-5-7(11(15)16-2)3-4-8(9)13-6/h3-5H,1-2H3.
What are the key properties of methyl 3-chloro-2-methylquinoxaline-6-carboxylate?
methyl 3-chloro-2-methylquinoxaline-6-carboxylate has a molecular weight of 236.66 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-2-methylquinoxaline-6-carboxylate is sourced from PubChem (CID 131355997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).