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

C19H25BN2O3 — CID 58229502

IUPAC4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine
SMILESCC1(C)OB(c2ccc3nccc(N4CCOCC4)c3c2)OC1(C)C
InChIInChI=1S/C19H25BN2O3/c1-18(2)19(3,4)25-20(24-18)14-5-6-16-15(13-14)17(7-8-21-16)22-9-11-23-12-10-22/h5-8,13H,9-12H2,1-4H3
InChIKeyYLBKJFUWDUMHAV-UHFFFAOYSA-N
MW340.23 g/mol
LogP2.37
Rot. Bonds2

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

4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine (PubChem CID 58229502) has the molecular formula C19H25BN2O3 and a molecular weight of 340.23 g/mol. Its IUPAC name is 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine
PubChem CID58229502
Molecular FormulaC19H25BN2O3
Molecular Weight340.23 g/mol
Exact Mass340.20
IUPAC Name4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine
SMILESCC1(C)OB(c2ccc3nccc(N4CCOCC4)c3c2)OC1(C)C
InChIInChI=1S/C19H25BN2O3/c1-18(2)19(3,4)25-20(24-18)14-5-6-16-15(13-14)17(7-8-21-16)22-9-11-23-12-10-22/h5-8,13H,9-12H2,1-4H3
InChIKeyYLBKJFUWDUMHAV-UHFFFAOYSA-N
XLogP2.37
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine?
The IUPAC name of 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine (CID 58229502) is 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine is CC1(C)OB(c2ccc3nccc(N4CCOCC4)c3c2)OC1(C)C.
What is the InChIKey of 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine?
The InChIKey is YLBKJFUWDUMHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BN2O3/c1-18(2)19(3,4)25-20(24-18)14-5-6-16-15(13-14)17(7-8-21-16)22-9-11-23-12-10-22/h5-8,13H,9-12H2,1-4H3.
What are the key properties of 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine?
4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine has a molecular weight of 340.23 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-4-yl]morpholine is sourced from PubChem (CID 58229502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).