5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine

C15H19BN2O2 — CID 123924871

IUPAC5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine
SMILESCC1(C)OB(c2cccc3nc(N)ccc23)OC1(C)C
InChIInChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)11-6-5-7-12-10(11)8-9-13(17)18-12/h5-9H,1-4H3,(H2,17,18)
InChIKeyZQKDFDBUGBMNJT-UHFFFAOYSA-N
MW270.14 g/mol
LogP2.12
Rot. Bonds1

About 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine (PubChem CID 123924871) has the molecular formula C15H19BN2O2 and a molecular weight of 270.14 g/mol. Its IUPAC name is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine.

Molecular Properties

Compound Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine
PubChem CID123924871
Molecular FormulaC15H19BN2O2
Molecular Weight270.14 g/mol
Exact Mass270.15
IUPAC Name5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine
SMILESCC1(C)OB(c2cccc3nc(N)ccc23)OC1(C)C
InChIInChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)11-6-5-7-12-10(11)8-9-13(17)18-12/h5-9H,1-4H3,(H2,17,18)
InChIKeyZQKDFDBUGBMNJT-UHFFFAOYSA-N
XLogP2.12
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 52.12
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

2-Aminoquinoline
CID 11379
4-Methylquinolin-2-amine
CID 231935
6-Aminophenanthridine
CID 160547
5-(4-Azanylbutyl)-3-Pentyl-Quinolin-2-Amine
CID 121231448
N-Methylquinolin-2-amine
CID 12548157
2-Hydrazinyl-4-methylquinoline
CID 818195
2-(4-Methylquinolin-2-yl)guanidine
CID 9920663
3-Pentyl-2-quinolinamine
CID 86302334
5-(3-Aminopropyl)-3-pentylquinolin-2-amine
CID 122192098
5-(5-Aminopentyl)-3-pentylquinolin-2-amine
CID 122192099
5-(6-Aminohexyl)-3-pentylquinolin-2-amine
CID 122192100
6-(4-Aminobutyl)-3-pentylquinolin-2-amine
CID 122192103

Frequently Asked Questions

What is the IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
The IUPAC name of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine (CID 123924871) is 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine.
What is the SMILES notation for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
The canonical SMILES for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine is CC1(C)OB(c2cccc3nc(N)ccc23)OC1(C)C.
What is the InChIKey of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
The InChIKey is ZQKDFDBUGBMNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)11-6-5-7-12-10(11)8-9-13(17)18-12/h5-9H,1-4H3,(H2,17,18).
What are the key properties of 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine?
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine has a molecular weight of 270.14 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine is sourced from PubChem (CID 123924871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).