methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate

C20H19F2N3O2 — CID 67041769

IUPACmethyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)c(F)c3)c(N(C)C(C)C)nc2c1
InChIInChI=1S/C20H19F2N3O2/c1-11(2)25(3)19-18(12-5-7-14(21)15(22)9-12)23-16-8-6-13(20(26)27-4)10-17(16)24-19/h5-11H,1-4H3
InChIKeyMGEYXYNLOVZQCR-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.21
Rot. Bonds4

About methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate

methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate (PubChem CID 67041769) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
PubChem CID67041769
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Namemethyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)c(F)c3)c(N(C)C(C)C)nc2c1
InChIInChI=1S/C20H19F2N3O2/c1-11(2)25(3)19-18(12-5-7-14(21)15(22)9-12)23-16-8-6-13(20(26)27-4)10-17(16)24-19/h5-11H,1-4H3
InChIKeyMGEYXYNLOVZQCR-UHFFFAOYSA-N
XLogP4.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The IUPAC name of methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate (CID 67041769) is methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate.
What is the SMILES notation for methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The canonical SMILES for methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)c(F)c3)c(N(C)C(C)C)nc2c1.
What is the InChIKey of methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
The InChIKey is MGEYXYNLOVZQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-11(2)25(3)19-18(12-5-7-14(21)15(22)9-12)23-16-8-6-13(20(26)27-4)10-17(16)24-19/h5-11H,1-4H3.
What are the key properties of methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate?
methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-difluorophenyl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylate is sourced from PubChem (CID 67041769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).