(3-methyl-2-phenoxyquinolin-6-yl)borinic acid

C16H14BNO2 — CID 143877854

IUPAC(3-methyl-2-phenoxyquinolin-6-yl)borinic acid
SMILESCc1cc2cc(BO)ccc2nc1Oc1ccccc1
InChIInChI=1S/C16H14BNO2/c1-11-9-12-10-13(17-19)7-8-15(12)18-16(11)20-14-5-3-2-4-6-14/h2-10,17,19H,1H3
InChIKeyCSYOJVNVTABTGG-UHFFFAOYSA-N
MW263.10 g/mol
LogP2.30
Rot. Bonds3

About (3-methyl-2-phenoxyquinolin-6-yl)borinic acid

(3-methyl-2-phenoxyquinolin-6-yl)borinic acid (PubChem CID 143877854) has the molecular formula C16H14BNO2 and a molecular weight of 263.10 g/mol. Its IUPAC name is (3-methyl-2-phenoxyquinolin-6-yl)borinic acid.

Molecular Properties

Compound Name(3-methyl-2-phenoxyquinolin-6-yl)borinic acid
PubChem CID143877854
Molecular FormulaC16H14BNO2
Molecular Weight263.10 g/mol
Exact Mass263.11
IUPAC Name(3-methyl-2-phenoxyquinolin-6-yl)borinic acid
SMILESCc1cc2cc(BO)ccc2nc1Oc1ccccc1
InChIInChI=1S/C16H14BNO2/c1-11-9-12-10-13(17-19)7-8-15(12)18-16(11)20-14-5-3-2-4-6-14/h2-10,17,19H,1H3
InChIKeyCSYOJVNVTABTGG-UHFFFAOYSA-N
XLogP2.30
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[4-(3-methylquinolin-2-yl)oxyphenyl]methanamine
CID 106486733
(5-methyl-6-phenoxy-3-pyridinyl)-phenylmethanone
CID 102544607
5-methyl-6-phenoxypyridine-3-carboxylic acid
CID 15687066
2-(3-methylphenoxy)quinoline-3-carboxylic acid
CID 28952515
(1S)-1-(5-methyl-6-phenoxy-3-pyridinyl)ethanol
CID 124501265
1-(5-methyl-6-phenoxy-3-pyridinyl)ethanol
CID 102544608
6-bromo-3-methyl-2-phenoxyquinoline-4-carboxylic acid
CID 177209314
5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid
CID 137285330
3-phenoxyquinoxaline-2-carboxylic acid
CID 13004258
6,7-dimethyl-5-nitroso-2,3-diphenoxyquinoxaline
CID 18694744
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
(2-methyl-6-phenoxyquinolin-3-yl)methanamine
CID 82246665

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-phenoxyquinolin-6-yl)borinic acid?
The IUPAC name of (3-methyl-2-phenoxyquinolin-6-yl)borinic acid (CID 143877854) is (3-methyl-2-phenoxyquinolin-6-yl)borinic acid.
What is the SMILES notation for (3-methyl-2-phenoxyquinolin-6-yl)borinic acid?
The canonical SMILES for (3-methyl-2-phenoxyquinolin-6-yl)borinic acid is Cc1cc2cc(BO)ccc2nc1Oc1ccccc1.
What is the InChIKey of (3-methyl-2-phenoxyquinolin-6-yl)borinic acid?
The InChIKey is CSYOJVNVTABTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BNO2/c1-11-9-12-10-13(17-19)7-8-15(12)18-16(11)20-14-5-3-2-4-6-14/h2-10,17,19H,1H3.
What are the key properties of (3-methyl-2-phenoxyquinolin-6-yl)borinic acid?
(3-methyl-2-phenoxyquinolin-6-yl)borinic acid has a molecular weight of 263.10 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-phenoxyquinolin-6-yl)borinic acid is sourced from PubChem (CID 143877854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).