(2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate

C18H15BrN2O2 — CID 2233435

IUPAC(2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3ccccc3Br)cc2nc1C
InChIInChI=1S/C18H15BrN2O2/c1-11-12(2)21-17-9-13(7-8-16(17)20-11)18(22)23-10-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3
InChIKeyDOFSCDOXIOPXKM-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.37
Rot. Bonds3

About (2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate

(2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 2233435) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is (2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID2233435
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name(2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3ccccc3Br)cc2nc1C
InChIInChI=1S/C18H15BrN2O2/c1-11-12(2)21-17-9-13(7-8-16(17)20-11)18(22)23-10-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3
InChIKeyDOFSCDOXIOPXKM-UHFFFAOYSA-N
XLogP4.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of (2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate (CID 2233435) is (2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for (2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for (2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate is Cc1nc2ccc(C(=O)OCc3ccccc3Br)cc2nc1C.
What is the InChIKey of (2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is DOFSCDOXIOPXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-11-12(2)21-17-9-13(7-8-16(17)20-11)18(22)23-10-14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3.
What are the key properties of (2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
(2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 371.23 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 2233435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).