methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate

C18H16N2O3 — CID 67476701

IUPACmethyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate
SMILESCOC(=O)c1cccc2nc(C)c(OCc3ccccc3)nc12
InChIInChI=1S/C18H16N2O3/c1-12-17(23-11-13-7-4-3-5-8-13)20-16-14(18(21)22-2)9-6-10-15(16)19-12/h3-10H,11H2,1-2H3
InChIKeyKOXBUNOZEAVVND-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.30
Rot. Bonds4

About methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate

methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate (PubChem CID 67476701) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate
PubChem CID67476701
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate
SMILESCOC(=O)c1cccc2nc(C)c(OCc3ccccc3)nc12
InChIInChI=1S/C18H16N2O3/c1-12-17(23-11-13-7-4-3-5-8-13)20-16-14(18(21)22-2)9-6-10-15(16)19-12/h3-10H,11H2,1-2H3
InChIKeyKOXBUNOZEAVVND-UHFFFAOYSA-N
XLogP3.30
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate?
The IUPAC name of methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate (CID 67476701) is methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate?
The canonical SMILES for methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate is COC(=O)c1cccc2nc(C)c(OCc3ccccc3)nc12.
What is the InChIKey of methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate?
The InChIKey is KOXBUNOZEAVVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-17(23-11-13-7-4-3-5-8-13)20-16-14(18(21)22-2)9-6-10-15(16)19-12/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate?
methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-phenylmethoxyquinoxaline-5-carboxylate is sourced from PubChem (CID 67476701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).