beryllium benzo[h]quinolin-1-ium-10-olate

C13H9BeNO+2 — CID 20665505

IUPACberyllium benzo[h]quinolin-1-ium-10-olate
SMILES[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12
InChIInChI=1S/C13H9NO.Be/c15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h1-8,15H;/q;+2
InChIKeyNYRDUTKHTSYELR-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.50
Rot. Bonds

About beryllium benzo[h]quinolin-1-ium-10-olate

beryllium benzo[h]quinolin-1-ium-10-olate (PubChem CID 20665505) has the molecular formula C13H9BeNO+2 and a molecular weight of 204.23 g/mol. Its IUPAC name is beryllium benzo[h]quinolin-1-ium-10-olate.

Molecular Properties

Compound Nameberyllium benzo[h]quinolin-1-ium-10-olate
PubChem CID20665505
Molecular FormulaC13H9BeNO+2
Molecular Weight204.23 g/mol
Exact Mass204.08
IUPAC Nameberyllium benzo[h]quinolin-1-ium-10-olate
SMILES[Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12
InChIInChI=1S/C13H9NO.Be/c15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h1-8,15H;/q;+2
InChIKeyNYRDUTKHTSYELR-UHFFFAOYSA-N
XLogP1.50
TPSA37.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.50
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
2-[5-(Piperidin-3-ylamino)isoquinolin-7-yl]phenol
CID 156021311
Beryllium, bis(benzo(h)quinolin-10-olato-kappaN1,kappaO10)-, (T-4)-
CID 22596848
8-(2-Hydroxynaphthalen-1-yl)quinoline
CID 134843613
Benzo(h)quinolin-7-ol
CID 186422
Benzo[j]phenanthridin-12-ol
CID 270578
9-Hydroxybenzo[h]quinoline
CID 14085625
Bis(10-hydroxybenzo[H]quinolinato)beryllium
CID 15333273
7-Methoxybenzo[h]quinoline
CID 25194587
10-Methoxybenzo[h]quinoline
CID 57739082

Frequently Asked Questions

What is the IUPAC name of beryllium benzo[h]quinolin-1-ium-10-olate?
The IUPAC name of beryllium benzo[h]quinolin-1-ium-10-olate (CID 20665505) is beryllium benzo[h]quinolin-1-ium-10-olate.
What is the SMILES notation for beryllium benzo[h]quinolin-1-ium-10-olate?
The canonical SMILES for beryllium benzo[h]quinolin-1-ium-10-olate is [Be+2].[O-]c1cccc2ccc3ccc[nH+]c3c12.
What is the InChIKey of beryllium benzo[h]quinolin-1-ium-10-olate?
The InChIKey is NYRDUTKHTSYELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO.Be/c15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h1-8,15H;/q;+2.
What are the key properties of beryllium benzo[h]quinolin-1-ium-10-olate?
beryllium benzo[h]quinolin-1-ium-10-olate has a molecular weight of 204.23 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium benzo[h]quinolin-1-ium-10-olate is sourced from PubChem (CID 20665505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).