8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C17H22BNO2 — CID 148551117

IUPAC8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESCCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cccnc12
InChIInChI=1S/C17H22BNO2/c1-6-12-10-14(11-13-8-7-9-19-15(12)13)18-20-16(2,3)17(4,5)21-18/h7-11H,6H2,1-5H3
InChIKeyMTEAWRQQRWBTQU-UHFFFAOYSA-N
MW283.18 g/mol
LogP3.10
Rot. Bonds2

About 8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 148551117) has the molecular formula C17H22BNO2 and a molecular weight of 283.18 g/mol. Its IUPAC name is 8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

Compound Name8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
PubChem CID148551117
Molecular FormulaC17H22BNO2
Molecular Weight283.18 g/mol
Exact Mass283.17
IUPAC Name8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESCCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cccnc12
InChIInChI=1S/C17H22BNO2/c1-6-12-10-14(11-13-8-7-9-19-15(12)13)18-20-16(2,3)17(4,5)21-18/h7-11H,6H2,1-5H3
InChIKeyMTEAWRQQRWBTQU-UHFFFAOYSA-N
XLogP3.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The IUPAC name of 8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 148551117) is 8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.
What is the SMILES notation for 8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The canonical SMILES for 8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is CCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cccnc12.
What is the InChIKey of 8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The InChIKey is MTEAWRQQRWBTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BNO2/c1-6-12-10-14(11-13-8-7-9-19-15(12)13)18-20-16(2,3)17(4,5)21-18/h7-11H,6H2,1-5H3.
What are the key properties of 8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 283.18 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 148551117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).