2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline

C22H23BF2N2O4 — CID 140891062

IUPAC2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
SMILESCOc1ccc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc3nc(OC(F)F)cnc23)cc1
InChIInChI=1S/C22H23BF2N2O4/c1-21(2)22(3,4)31-23(30-21)14-10-16(13-6-8-15(28-5)9-7-13)19-17(11-14)27-18(12-26-19)29-20(24)25/h6-12,20H,1-5H3
InChIKeyORUJWWHBMHCPDD-UHFFFAOYSA-N
MW428.24 g/mol
LogP4.21
Rot. Bonds5

About 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline

2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline (PubChem CID 140891062) has the molecular formula C22H23BF2N2O4 and a molecular weight of 428.24 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
PubChem CID140891062
Molecular FormulaC22H23BF2N2O4
Molecular Weight428.24 g/mol
Exact Mass428.17
IUPAC Name2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
SMILESCOc1ccc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc3nc(OC(F)F)cnc23)cc1
InChIInChI=1S/C22H23BF2N2O4/c1-21(2)22(3,4)31-23(30-21)14-10-16(13-6-8-15(28-5)9-7-13)19-17(11-14)27-18(12-26-19)29-20(24)25/h6-12,20H,1-5H3
InChIKeyORUJWWHBMHCPDD-UHFFFAOYSA-N
XLogP4.21
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.24
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline with MolForge

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

Launch Full Analysis

Related Compounds

2-(difluoromethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 71238325
2-(difluoromethoxy)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylquinoxaline
CID 126509096
2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol
CID 142321842
2-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132508664
2-[3-(difluoromethoxy)phenoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 131700011
2-(difluoromethoxy)-5-(4,5-dimethoxy-1-benzofuran-2-yl)-7-methylquinoxaline
CID 134181058
2-(3-methoxy-4-methylphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 142438972
5-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 42614613
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-5-pyridin-4-yl-1,3-thiazole
CID 134175452
N-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 53217154
2-[9,9-diethyl-7-(4-methoxyphenyl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139257864
2-[[2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-1-benzofuran-5-yl]oxy]-N-methylethanamine
CID 134180505

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The IUPAC name of 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline (CID 140891062) is 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline.
What is the SMILES notation for 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The canonical SMILES for 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline is COc1ccc(-c2cc(B3OC(C)(C)C(C)(C)O3)cc3nc(OC(F)F)cnc23)cc1.
What is the InChIKey of 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The InChIKey is ORUJWWHBMHCPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BF2N2O4/c1-21(2)22(3,4)31-23(30-21)14-10-16(13-6-8-15(28-5)9-7-13)19-17(11-14)27-18(12-26-19)29-20(24)25/h6-12,20H,1-5H3.
What are the key properties of 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline has a molecular weight of 428.24 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline is sourced from PubChem (CID 140891062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).