beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate

C19H12BeNO2+ — CID 59762870

IUPACberyllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate
SMILES[Be+2].[O-]c1ccccc1-c1ccc2ccc3cccc([O-])c3c2[nH+]1
InChIInChI=1S/C19H13NO2.Be/c21-16-6-2-1-5-14(16)15-11-10-13-9-8-12-4-3-7-17(22)18(12)19(13)20-15;/h1-11,21-22H;/q;+2/p-1
InChIKeyIJSPEZQGKQUCML-UHFFFAOYSA-M
MW295.32 g/mol
LogP2.24
Rot. Bonds1

About beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate

beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate (PubChem CID 59762870) has the molecular formula C19H12BeNO2+ and a molecular weight of 295.32 g/mol. Its IUPAC name is beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate.

Molecular Properties

Compound Nameberyllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate
PubChem CID59762870
Molecular FormulaC19H12BeNO2+
Molecular Weight295.32 g/mol
Exact Mass295.10
IUPAC Nameberyllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate
SMILES[Be+2].[O-]c1ccccc1-c1ccc2ccc3cccc([O-])c3c2[nH+]1
InChIInChI=1S/C19H13NO2.Be/c21-16-6-2-1-5-14(16)15-11-10-13-9-8-12-4-3-7-17(22)18(12)19(13)20-15;/h1-11,21-22H;/q;+2/p-1
InChIKeyIJSPEZQGKQUCML-UHFFFAOYSA-M
XLogP2.24
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

potassium 2-phenylquinolin-1-ium-8-olate
CID 58233309
lithium;potassium;benzo[f]quinolin-4-ium-5-olate;2-quinolin-1-ium-2-ylphenolate
CID 159965073
beryllium;benzo[h]quinolin-1-ium-10-olate;2-(1,3-benzothiazol-3-ium-2-yl)benzenethiolate
CID 59219775
lithium 2-[9-(4-triphenylen-2-ylisoquinolin-1-yl)-1,10-phenanthrolin-1-ium-2-yl]phenolate
CID 140820251
fluoranthene
CID 139203734
benzo[h]quinolin-10-olate
CID 101433150
beryllium;benzo[h]quinolin-1-ium-10-olate;2-[5-[(1Z)-buta-1,3-dienyl]-4-ethyl-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]imidazol-3-ium-2-yl]phenolate
CID 143983992
beryllium 5-naphthalen-1-ylquinolin-1-ium-8-olate
CID 20606751
beryllium;benzo[h]quinolin-1-ium-10-olate;8H-cyclohepta[h]quinolin-1-ium-11-olate
CID 143983785
2,4,6-tris(naphtho[1,2-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 146658795
benzo[e]pyrene
CID 9128
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955

Frequently Asked Questions

What is the IUPAC name of beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate?
The IUPAC name of beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate (CID 59762870) is beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate.
What is the SMILES notation for beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate?
The canonical SMILES for beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate is [Be+2].[O-]c1ccccc1-c1ccc2ccc3cccc([O-])c3c2[nH+]1.
What is the InChIKey of beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate?
The InChIKey is IJSPEZQGKQUCML-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13NO2.Be/c21-16-6-2-1-5-14(16)15-11-10-13-9-8-12-4-3-7-17(22)18(12)19(13)20-15;/h1-11,21-22H;/q;+2/p-1.
What are the key properties of beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate?
beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate has a molecular weight of 295.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium 2-(2-oxidophenyl)benzo[h]quinolin-1-ium-10-olate is sourced from PubChem (CID 59762870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).