[3-(quinolin-2-ylmethoxy)phenyl]boronic acid

C16H14BNO3 — CID 43327889

IUPAC[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
SMILESOB(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H14BNO3/c19-17(20)13-5-3-6-15(10-13)21-11-14-9-8-12-4-1-2-7-16(12)18-14/h1-10,19-20H,11H2
InChIKeyPIMVLMFKFQAULX-UHFFFAOYSA-N
MW279.10 g/mol
LogP1.49
Rot. Bonds4

About [3-(quinolin-2-ylmethoxy)phenyl]boronic acid

[3-(quinolin-2-ylmethoxy)phenyl]boronic acid (PubChem CID 43327889) has the molecular formula C16H14BNO3 and a molecular weight of 279.10 g/mol. Its IUPAC name is [3-(quinolin-2-ylmethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
PubChem CID43327889
Molecular FormulaC16H14BNO3
Molecular Weight279.10 g/mol
Exact Mass279.11
IUPAC Name[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
SMILESOB(O)c1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C16H14BNO3/c19-17(20)13-5-3-6-15(10-13)21-11-14-9-8-12-4-1-2-7-16(12)18-14/h1-10,19-20H,11H2
InChIKeyPIMVLMFKFQAULX-UHFFFAOYSA-N
XLogP1.49
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
[3-(quinolin-4-ylmethoxy)phenyl]boronic acid
CID 79231473
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
CID 19864853
2-[[3-(1,3-dithian-2-yl)phenoxy]methyl]quinoline
CID 14774169
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
sodium;hydride;7-(quinolin-2-ylmethoxy)naphthalene-1-sulfonic acid
CID 173321253
1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea
CID 67888713
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230

Frequently Asked Questions

What is the IUPAC name of [3-(quinolin-2-ylmethoxy)phenyl]boronic acid?
The IUPAC name of [3-(quinolin-2-ylmethoxy)phenyl]boronic acid (CID 43327889) is [3-(quinolin-2-ylmethoxy)phenyl]boronic acid.
What is the SMILES notation for [3-(quinolin-2-ylmethoxy)phenyl]boronic acid?
The canonical SMILES for [3-(quinolin-2-ylmethoxy)phenyl]boronic acid is OB(O)c1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of [3-(quinolin-2-ylmethoxy)phenyl]boronic acid?
The InChIKey is PIMVLMFKFQAULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BNO3/c19-17(20)13-5-3-6-15(10-13)21-11-14-9-8-12-4-1-2-7-16(12)18-14/h1-10,19-20H,11H2.
What are the key properties of [3-(quinolin-2-ylmethoxy)phenyl]boronic acid?
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid has a molecular weight of 279.10 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(quinolin-2-ylmethoxy)phenyl]boronic acid is sourced from PubChem (CID 43327889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).