(3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol

C22H16BClN2O2 — CID 69337211

IUPAC(3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol
SMILESN#Cc1ccc(B(O)c2cccc(Cl)c2)cc1.Oc1cccc2cccnc12
InChIInChI=1S/C13H9BClNO.C9H7NO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11;11-8-5-1-3-7-4-2-6-10-9(7)8/h1-8,17H;1-6,11H
InChIKeyMMKVJICSJQLHOO-UHFFFAOYSA-N
MW386.65 g/mol
LogP3.25
Rot. Bonds2

About (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol

(3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol (PubChem CID 69337211) has the molecular formula C22H16BClN2O2 and a molecular weight of 386.65 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol
PubChem CID69337211
Molecular FormulaC22H16BClN2O2
Molecular Weight386.65 g/mol
Exact Mass386.10
IUPAC Name(3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol
SMILESN#Cc1ccc(B(O)c2cccc(Cl)c2)cc1.Oc1cccc2cccnc12
InChIInChI=1S/C13H9BClNO.C9H7NO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11;11-8-5-1-3-7-4-2-6-10-9(7)8/h1-8,17H;1-6,11H
InChIKeyMMKVJICSJQLHOO-UHFFFAOYSA-N
XLogP3.25
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.65
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl)-(2,5-difluorophenyl)borinic acid;quinolin-8-ol
CID 69337897
CID 174914731
CID 174914731
CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627
(4-chlorophenyl)-ethenylborinic acid;quinolin-8-ol
CID 69337176
zinc quinolin-8-ol
CID 22057723
CID 87330016
CID 87330016
CID 6381061
CID 6381061
carbanide;platinum-195;platinum-195(2+);bis(quinolin-8-ol);hydrate
CID 59891554
methanol;quinolin-8-ol
CID 161490698
oxozinc;quinolin-8-ol
CID 174943156
CID 70016201
CID 70016201

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol?
The IUPAC name of (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol (CID 69337211) is (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol.
What is the SMILES notation for (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol?
The canonical SMILES for (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol is N#Cc1ccc(B(O)c2cccc(Cl)c2)cc1.Oc1cccc2cccnc12.
What is the InChIKey of (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol?
The InChIKey is MMKVJICSJQLHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BClNO.C9H7NO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11;11-8-5-1-3-7-4-2-6-10-9(7)8/h1-8,17H;1-6,11H.
What are the key properties of (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol?
(3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol has a molecular weight of 386.65 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-cyanophenyl)borinic acid;quinolin-8-ol is sourced from PubChem (CID 69337211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).