methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate

C24H21N3O2 — CID 67041739

IUPACmethyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(NCCc3ccccc3)nc2c1
InChIInChI=1S/C24H21N3O2/c1-29-24(28)19-12-13-20-21(16-19)27-23(22(26-20)18-10-6-3-7-11-18)25-15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H,25,27)
InChIKeyFMOCXMWGZLWBLR-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.74
Rot. Bonds6

About methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate

methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate (PubChem CID 67041739) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate
PubChem CID67041739
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Namemethyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(NCCc3ccccc3)nc2c1
InChIInChI=1S/C24H21N3O2/c1-29-24(28)19-12-13-20-21(16-19)27-23(22(26-20)18-10-6-3-7-11-18)25-15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H,25,27)
InChIKeyFMOCXMWGZLWBLR-UHFFFAOYSA-N
XLogP4.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-fluorophenyl)-3-(propylamino)quinoxaline-6-carboxylate
CID 70664870
methyl phenazine-2-carboxylate
CID 617185
methyl 3-(4-methylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041699
methyl 2-phenyl-3-[4-(propan-2-ylsulfonylamino)phenyl]quinoxaline-6-carboxylate
CID 86718142
methyl 3-morpholin-4-yl-2-phenylquinoxaline-6-carboxylate
CID 67042135
methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
methyl 2,3-diphenylquinoline-6-carboxylate
CID 154585293
methyl 4-amino-3-(2-phenylethylamino)benzoate
CID 82786010
methyl 2,3-bis(3-fluorophenyl)quinoxaline-6-carboxylate
CID 5127751
methyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate
CID 67042109
methyl 3-(2-methylpyrrolidin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041735

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate (CID 67041739) is methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3)c(NCCc3ccccc3)nc2c1.
What is the InChIKey of methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate?
The InChIKey is FMOCXMWGZLWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-29-24(28)19-12-13-20-21(16-19)27-23(22(26-20)18-10-6-3-7-11-18)25-15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H,25,27).
What are the key properties of methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate?
methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate has a molecular weight of 383.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-3-(2-phenylethylamino)quinoxaline-6-carboxylate is sourced from PubChem (CID 67041739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).