5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline

C17H23BN2O2 — CID 172645210

IUPAC5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
SMILESCC(C)c1ccc(B2OC(C)(C)C(C)(C)O2)c2nccnc12
InChIInChI=1S/C17H23BN2O2/c1-11(2)12-7-8-13(15-14(12)19-9-10-20-15)18-21-16(3,4)17(5,6)22-18/h7-11H,1-6H3
InChIKeyCHDJXQSCEDTIBY-UHFFFAOYSA-N
MW298.19 g/mol
LogP3.05
Rot. Bonds2

About 5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline

5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline (PubChem CID 172645210) has the molecular formula C17H23BN2O2 and a molecular weight of 298.19 g/mol. Its IUPAC name is 5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline.

Molecular Properties

Compound Name5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
PubChem CID172645210
Molecular FormulaC17H23BN2O2
Molecular Weight298.19 g/mol
Exact Mass298.19
IUPAC Name5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
SMILESCC(C)c1ccc(B2OC(C)(C)C(C)(C)O2)c2nccnc12
InChIInChI=1S/C17H23BN2O2/c1-11(2)12-7-8-13(15-14(12)19-9-10-20-15)18-21-16(3,4)17(5,6)22-18/h7-11H,1-6H3
InChIKeyCHDJXQSCEDTIBY-UHFFFAOYSA-N
XLogP3.05
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
CID 172644821
1-propan-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[3,2-b]pyridine
CID 175198522
2-[4-fluoro-2-(1,1,1-trifluoropropan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165431042
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 66697967
(1R)-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanamine
CID 99774998
tert-butyl-dimethyl-[1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethoxy]silane
CID 102396896
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
2-chloro-4-(3-methyl-4-propan-2-ylphenyl)pyrimidine;2,4-dichloropyrimidine;4,4,5,5-tetramethyl-2-(3-methyl-4-propan-2-ylphenyl)-1,3,2-dioxaborolane
CID 159160905
7-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 123938422
2-[2-(difluoromethyl)-5-methylphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155943487
CID 24899129
CID 24899129
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furo[2,3-b]pyridine
CID 119008928

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The IUPAC name of 5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline (CID 172645210) is 5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline.
What is the SMILES notation for 5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The canonical SMILES for 5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline is CC(C)c1ccc(B2OC(C)(C)C(C)(C)O2)c2nccnc12.
What is the InChIKey of 5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
The InChIKey is CHDJXQSCEDTIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BN2O2/c1-11(2)12-7-8-13(15-14(12)19-9-10-20-15)18-21-16(3,4)17(5,6)22-18/h7-11H,1-6H3.
What are the key properties of 5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline?
5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline has a molecular weight of 298.19 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline is sourced from PubChem (CID 172645210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).