2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C19H26BNO2 — CID 176514533

IUPAC2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESCCCc1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2nc1C
InChIInChI=1S/C19H26BNO2/c1-7-8-14-11-15-12-16(9-10-17(15)21-13(14)2)20-22-18(3,4)19(5,6)23-20/h9-12H,7-8H2,1-6H3
InChIKeyGPFABTYHQVQKPU-UHFFFAOYSA-N
MW311.23 g/mol
LogP3.79
Rot. Bonds3

About 2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 176514533) has the molecular formula C19H26BNO2 and a molecular weight of 311.23 g/mol. Its IUPAC name is 2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

Compound Name2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
PubChem CID176514533
Molecular FormulaC19H26BNO2
Molecular Weight311.23 g/mol
Exact Mass311.21
IUPAC Name2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
SMILESCCCc1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2nc1C
InChIInChI=1S/C19H26BNO2/c1-7-8-14-11-15-12-16(9-10-17(15)21-13(14)2)20-22-18(3,4)19(5,6)23-20/h9-12H,7-8H2,1-6H3
InChIKeyGPFABTYHQVQKPU-UHFFFAOYSA-N
XLogP3.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroacridine
CID 176514531
2-ethyl-1-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 141417897
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzothiadiazole
CID 46738015
4,4,5,5-tetramethyl-2-(2-methyl-1-benzofuran-5-yl)-1,3,2-dioxaborolane
CID 131166925
2-ethenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
CID 123398294
2-pyrrolidin-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazoline
CID 169265947
CID 88941720
CID 88941720
2-[3,4-bis(ethenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153341613
3-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
CID 141330716
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
CID 75487098
2-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxaline
CID 67172433
ethane;2-(3-ethyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 144795670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The IUPAC name of 2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 176514533) is 2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.
What is the SMILES notation for 2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The canonical SMILES for 2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is CCCc1cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2nc1C.
What is the InChIKey of 2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
The InChIKey is GPFABTYHQVQKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BNO2/c1-7-8-14-11-15-12-16(9-10-17(15)21-13(14)2)20-22-18(3,4)19(5,6)23-20/h9-12H,7-8H2,1-6H3.
What are the key properties of 2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?
2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 311.23 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 176514533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).