2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol

C18H24BNO3 — CID 175991327

IUPAC2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol
SMILESCC(C)(O)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12
InChIInChI=1S/C18H24BNO3/c1-16(2,21)14-9-10-20-15-8-7-12(11-13(14)15)19-22-17(3,4)18(5,6)23-19/h7-11,21H,1-6H3
InChIKeyIUYMKOFNVUDMRA-UHFFFAOYSA-N
MW313.21 g/mol
LogP2.76
Rot. Bonds2

About 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol

2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol (PubChem CID 175991327) has the molecular formula C18H24BNO3 and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol
PubChem CID175991327
Molecular FormulaC18H24BNO3
Molecular Weight313.21 g/mol
Exact Mass313.18
IUPAC Name2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol
SMILESCC(C)(O)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12
InChIInChI=1S/C18H24BNO3/c1-16(2,21)14-9-10-20-15-8-7-12(11-13(14)15)19-22-17(3,4)18(5,6)23-19/h7-11,21H,1-6H3
InChIKeyIUYMKOFNVUDMRA-UHFFFAOYSA-N
XLogP2.76
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-4-carboxylate
CID 131748169
2-(4-tert-butyl-2-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 172609173
10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthro[9,10-b]pyrazine
CID 154011907
2-[3,4-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153341613
4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane
CID 58174852
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
CID 46738015
4-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cinnoline
CID 135396475
3-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole
CID 53425654
3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 171611249
1-[2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]-2-methylpropan-2-ol
CID 171734939
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbaldehyde
CID 86623715
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline-6-carbonitrile
CID 59373983

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol?
The IUPAC name of 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol (CID 175991327) is 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol?
The canonical SMILES for 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol is CC(C)(O)c1ccnc2ccc(B3OC(C)(C)C(C)(C)O3)cc12.
What is the InChIKey of 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol?
The InChIKey is IUYMKOFNVUDMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BNO3/c1-16(2,21)14-9-10-20-15-8-7-12(11-13(14)15)19-22-17(3,4)18(5,6)23-19/h7-11,21H,1-6H3.
What are the key properties of 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol?
2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol has a molecular weight of 313.21 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]propan-2-ol is sourced from PubChem (CID 175991327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).