(3-ethyl-2-methoxyquinolin-7-yl)boronic acid

C12H14BNO3 — CID 59474872

IUPAC(3-ethyl-2-methoxyquinolin-7-yl)boronic acid
SMILESCCc1cc2ccc(B(O)O)cc2nc1OC
InChIInChI=1S/C12H14BNO3/c1-3-8-6-9-4-5-10(13(15)16)7-11(9)14-12(8)17-2/h4-7,15-16H,3H2,1-2H3
InChIKeyKIJPHOAQPUKPAE-UHFFFAOYSA-N
MW231.06 g/mol
LogP0.49
Rot. Bonds3

About (3-ethyl-2-methoxyquinolin-7-yl)boronic acid

(3-ethyl-2-methoxyquinolin-7-yl)boronic acid (PubChem CID 59474872) has the molecular formula C12H14BNO3 and a molecular weight of 231.06 g/mol. Its IUPAC name is (3-ethyl-2-methoxyquinolin-7-yl)boronic acid.

Molecular Properties

Compound Name(3-ethyl-2-methoxyquinolin-7-yl)boronic acid
PubChem CID59474872
Molecular FormulaC12H14BNO3
Molecular Weight231.06 g/mol
Exact Mass231.11
IUPAC Name(3-ethyl-2-methoxyquinolin-7-yl)boronic acid
SMILESCCc1cc2ccc(B(O)O)cc2nc1OC
InChIInChI=1S/C12H14BNO3/c1-3-8-6-9-4-5-10(13(15)16)7-11(9)14-12(8)17-2/h4-7,15-16H,3H2,1-2H3
InChIKeyKIJPHOAQPUKPAE-UHFFFAOYSA-N
XLogP0.49
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 50.49
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

(3-ethyl-2-methoxyquinolin-7-yl)-phenylmethanone
CID 59393104
1-(3-ethyl-2-methoxyquinolin-7-yl)butan-1-ol
CID 59393145
cyclopropyl-(3-ethyl-2-methoxyquinolin-7-yl)methanone
CID 59393071
2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane
CID 164511422
(3-amino-4-ethylphenyl)boronic acid
CID 68786697
3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393114
3-bromo-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393221
(2-methylquinolin-7-yl)boronic acid
CID 58343921
(4-methoxyquinazolin-7-yl)boronic acid
CID 121231085
3-ethyl-7-methoxy-2-methylquinoline
CID 90882709
2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 59392990
(3-ethoxy-4-ethylphenyl)boronic acid
CID 170999917

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-methoxyquinolin-7-yl)boronic acid?
The IUPAC name of (3-ethyl-2-methoxyquinolin-7-yl)boronic acid (CID 59474872) is (3-ethyl-2-methoxyquinolin-7-yl)boronic acid.
What is the SMILES notation for (3-ethyl-2-methoxyquinolin-7-yl)boronic acid?
The canonical SMILES for (3-ethyl-2-methoxyquinolin-7-yl)boronic acid is CCc1cc2ccc(B(O)O)cc2nc1OC.
What is the InChIKey of (3-ethyl-2-methoxyquinolin-7-yl)boronic acid?
The InChIKey is KIJPHOAQPUKPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BNO3/c1-3-8-6-9-4-5-10(13(15)16)7-11(9)14-12(8)17-2/h4-7,15-16H,3H2,1-2H3.
What are the key properties of (3-ethyl-2-methoxyquinolin-7-yl)boronic acid?
(3-ethyl-2-methoxyquinolin-7-yl)boronic acid has a molecular weight of 231.06 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methoxyquinolin-7-yl)boronic acid is sourced from PubChem (CID 59474872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).