di(imidazol-1-yloxy)borinic acid;quinoline

C15H14BN5O3 — CID 174795092

IUPACdi(imidazol-1-yloxy)borinic acid;quinoline
SMILESOB(On1ccnc1)On1ccnc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H7BN4O3/c1-2-6-9-8(4-1)5-3-7-10-9;12-7(13-10-3-1-8-5-10)14-11-4-2-9-6-11/h1-7H;1-6,12H
InChIKeyBXXSFZGPHGWDSH-UHFFFAOYSA-N
MW323.12 g/mol
LogP0.85
Rot. Bonds4

About di(imidazol-1-yloxy)borinic acid;quinoline

di(imidazol-1-yloxy)borinic acid;quinoline (PubChem CID 174795092) has the molecular formula C15H14BN5O3 and a molecular weight of 323.12 g/mol. Its IUPAC name is di(imidazol-1-yloxy)borinic acid;quinoline.

Molecular Properties

Compound Namedi(imidazol-1-yloxy)borinic acid;quinoline
PubChem CID174795092
Molecular FormulaC15H14BN5O3
Molecular Weight323.12 g/mol
Exact Mass323.12
IUPAC Namedi(imidazol-1-yloxy)borinic acid;quinoline
SMILESOB(On1ccnc1)On1ccnc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C6H7BN4O3/c1-2-6-9-8(4-1)5-3-7-10-9;12-7(13-10-3-1-8-5-10)14-11-4-2-9-6-11/h1-7H;1-6,12H
InChIKeyBXXSFZGPHGWDSH-UHFFFAOYSA-N
XLogP0.85
TPSA87.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxyimidazole;quinoline;hydrochloride
CID 174743695
1-imidazol-1-ylethanone;quinoline
CID 161093040
quinoline
CID 76974643
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
1-propylimidazole;quinoline
CID 174946070
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CID 174523855
ethane;methanol;quinoline
CID 90686502

Frequently Asked Questions

What is the IUPAC name of di(imidazol-1-yloxy)borinic acid;quinoline?
The IUPAC name of di(imidazol-1-yloxy)borinic acid;quinoline (CID 174795092) is di(imidazol-1-yloxy)borinic acid;quinoline.
What is the SMILES notation for di(imidazol-1-yloxy)borinic acid;quinoline?
The canonical SMILES for di(imidazol-1-yloxy)borinic acid;quinoline is OB(On1ccnc1)On1ccnc1.c1ccc2ncccc2c1.
What is the InChIKey of di(imidazol-1-yloxy)borinic acid;quinoline?
The InChIKey is BXXSFZGPHGWDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C6H7BN4O3/c1-2-6-9-8(4-1)5-3-7-10-9;12-7(13-10-3-1-8-5-10)14-11-4-2-9-6-11/h1-7H;1-6,12H.
What are the key properties of di(imidazol-1-yloxy)borinic acid;quinoline?
di(imidazol-1-yloxy)borinic acid;quinoline has a molecular weight of 323.12 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for di(imidazol-1-yloxy)borinic acid;quinoline is sourced from PubChem (CID 174795092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).