beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate

C23H15BeNO+2 — CID 20606747

IUPACberyllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate
SMILES[Be+2].[O-]c1ccc(-c2cccc3ccccc23)c2ccc3ccc[nH+]c3c12
InChIInChI=1S/C23H15NO.Be/c25-21-13-12-19(18-9-3-6-15-5-1-2-8-17(15)18)20-11-10-16-7-4-14-24-23(16)22(20)21;/h1-14,25H;/q;+2
InChIKeyFSVMXMMQQFJVFO-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.32
Rot. Bonds1

About beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate

beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate (PubChem CID 20606747) has the molecular formula C23H15BeNO+2 and a molecular weight of 330.39 g/mol. Its IUPAC name is beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate.

Molecular Properties

Compound Nameberyllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate
PubChem CID20606747
Molecular FormulaC23H15BeNO+2
Molecular Weight330.39 g/mol
Exact Mass330.13
IUPAC Nameberyllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate
SMILES[Be+2].[O-]c1ccc(-c2cccc3ccccc23)c2ccc3ccc[nH+]c3c12
InChIInChI=1S/C23H15NO.Be/c25-21-13-12-19(18-9-3-6-15-5-1-2-8-17(15)18)20-11-10-16-7-4-14-24-23(16)22(20)21;/h1-14,25H;/q;+2
InChIKeyFSVMXMMQQFJVFO-UHFFFAOYSA-N
XLogP4.32
TPSA37.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(Piperidin-3-ylamino)isoquinolin-7-yl]phenol
CID 156018227
Dibenzo[f,h]quinolin-7-ol
CID 219962
1-(Quinolin-3-ylaminomethyl)-naphthalen-2-ol
CID 951184
N-[(5-fluoro-2-methoxy-phenyl)methyl]-N'-[7-(1-naphthyl)-4-quinolyl]propane-1,3-diamine
CID 56594870
1-[[2-(1H-indol-3-yl)ethylamino]methyl]naphthalen-2-ol
CID 83454240
Beryllium, bis(benzo(h)quinolin-10-olato-kappaN1,kappaO10)-, (T-4)-
CID 22596848
6-(3-hydroxyphenyl)-1-(1H-indol-5-yl)naphthalen-2-ol
CID 50942515
8-(2-Hydroxynaphthalen-1-yl)quinoline
CID 134843613
Benzo(h)quinolin-7-ol
CID 186422
Benzo[j]phenanthridin-12-ol
CID 270578
(S)-3,3'-Di(pyridin-2-yl)-[1,1'-binapthalene]-2,2'-diol
CID 135481002
2-Naphthalenol, 1-[(8-quinolinylimino)methyl]-
CID 4863497

Frequently Asked Questions

What is the IUPAC name of beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate?
The IUPAC name of beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate (CID 20606747) is beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate.
What is the SMILES notation for beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate?
The canonical SMILES for beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate is [Be+2].[O-]c1ccc(-c2cccc3ccccc23)c2ccc3ccc[nH+]c3c12.
What is the InChIKey of beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate?
The InChIKey is FSVMXMMQQFJVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO.Be/c25-21-13-12-19(18-9-3-6-15-5-1-2-8-17(15)18)20-11-10-16-7-4-14-24-23(16)22(20)21;/h1-14,25H;/q;+2.
What are the key properties of beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate?
beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate has a molecular weight of 330.39 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium 7-naphthalen-1-ylbenzo[h]quinolin-1-ium-10-olate is sourced from PubChem (CID 20606747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).