methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate

C20H19N3O3 — CID 67042135

IUPACmethyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C20H19N3O3/c1-25-20(24)15-7-8-16-17(13-15)22-19(23-9-11-26-12-10-23)18(21-16)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyJBTISCUKCQAVMV-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.92
Rot. Bonds3

About methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate

methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate (PubChem CID 67042135) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
PubChem CID67042135
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namemethyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C20H19N3O3/c1-25-20(24)15-7-8-16-17(13-15)22-19(23-9-11-26-12-10-23)18(21-16)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3
InChIKeyJBTISCUKCQAVMV-UHFFFAOYSA-N
XLogP2.92
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate?
The IUPAC name of methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate (CID 67042135) is methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate.
What is the SMILES notation for methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate?
The canonical SMILES for methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3)c(N3CCOCC3)nc2c1.
What is the InChIKey of methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate?
The InChIKey is JBTISCUKCQAVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-20(24)15-7-8-16-17(13-15)22-19(23-9-11-26-12-10-23)18(21-16)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3.
What are the key properties of methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate?
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate is sourced from PubChem (CID 67042135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).