boric acid;bis(1H-imidazole);quinoline

C15H18BN5O3 — CID 174795094

IUPACboric acid;bis(1H-imidazole);quinoline
SMILESOB(O)O.c1c[nH]cn1.c1c[nH]cn1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.2C3H4N2.BH3O3/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-3-4-1;2-1(3)4/h1-7H;2*1-3H,(H,4,5);2-4H
InChIKeyQVANSVPIQABWEJ-UHFFFAOYSA-N
MW327.15 g/mol
LogP1.00
Rot. Bonds

About boric acid;bis(1H-imidazole);quinoline

boric acid;bis(1H-imidazole);quinoline (PubChem CID 174795094) has the molecular formula C15H18BN5O3 and a molecular weight of 327.15 g/mol. Its IUPAC name is boric acid;bis(1H-imidazole);quinoline.

Molecular Properties

Compound Nameboric acid;bis(1H-imidazole);quinoline
PubChem CID174795094
Molecular FormulaC15H18BN5O3
Molecular Weight327.15 g/mol
Exact Mass327.15
IUPAC Nameboric acid;bis(1H-imidazole);quinoline
SMILESOB(O)O.c1c[nH]cn1.c1c[nH]cn1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.2C3H4N2.BH3O3/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-3-4-1;2-1(3)4/h1-7H;2*1-3H,(H,4,5);2-4H
InChIKeyQVANSVPIQABWEJ-UHFFFAOYSA-N
XLogP1.00
TPSA130.94 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 51.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(1H-imidazole);quinoline
CID 174662508
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CID 66658955
1H-imidazole;quinolin-6-amine
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quinoline
CID 76974643
benzene;ethane;furan;1H-imidazole;pyridine;quinoline;thiophene
CID 158376258
CID 159709187
CID 159709187
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
hydron;quinoline
CID 131854096
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CID 175273158
platinum(2+);quinoline
CID 50910245
1H-imidazole;2H-isoindole
CID 172782455

Frequently Asked Questions

What is the IUPAC name of boric acid;bis(1H-imidazole);quinoline?
The IUPAC name of boric acid;bis(1H-imidazole);quinoline (CID 174795094) is boric acid;bis(1H-imidazole);quinoline.
What is the SMILES notation for boric acid;bis(1H-imidazole);quinoline?
The canonical SMILES for boric acid;bis(1H-imidazole);quinoline is OB(O)O.c1c[nH]cn1.c1c[nH]cn1.c1ccc2ncccc2c1.
What is the InChIKey of boric acid;bis(1H-imidazole);quinoline?
The InChIKey is QVANSVPIQABWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.2C3H4N2.BH3O3/c1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-5-3-4-1;2-1(3)4/h1-7H;2*1-3H,(H,4,5);2-4H.
What are the key properties of boric acid;bis(1H-imidazole);quinoline?
boric acid;bis(1H-imidazole);quinoline has a molecular weight of 327.15 g/mol, XLogP of 1.00, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;bis(1H-imidazole);quinoline is sourced from PubChem (CID 174795094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).