beryllium;benzo[h]quinoline;hydride;quinoline

C22H18BeN2 — CID 174631089

IUPACberyllium;benzo[h]quinoline;hydride;quinoline
SMILES[Be+2].[H-].[H-].c1ccc2c(c1)ccc1cccnc12.c1ccc2ncccc2c1
InChIInChI=1S/C13H9N.C9H7N.Be.2H/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-9H;1-7H;;;/q;;+2;2*-1
InChIKeyJWTXBIHBWLVUMG-UHFFFAOYSA-N
MW319.41 g/mol
LogP5.47
Rot. Bonds

About beryllium;benzo[h]quinoline;hydride;quinoline

beryllium;benzo[h]quinoline;hydride;quinoline (PubChem CID 174631089) has the molecular formula C22H18BeN2 and a molecular weight of 319.41 g/mol. Its IUPAC name is beryllium;benzo[h]quinoline;hydride;quinoline.

Molecular Properties

Compound Nameberyllium;benzo[h]quinoline;hydride;quinoline
PubChem CID174631089
Molecular FormulaC22H18BeN2
Molecular Weight319.41 g/mol
Exact Mass319.16
IUPAC Nameberyllium;benzo[h]quinoline;hydride;quinoline
SMILES[Be+2].[H-].[H-].c1ccc2c(c1)ccc1cccnc12.c1ccc2ncccc2c1
InChIInChI=1S/C13H9N.C9H7N.Be.2H/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-9H;1-7H;;;/q;;+2;2*-1
InChIKeyJWTXBIHBWLVUMG-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.41
LogP ≤ 55.47
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

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acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
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CID 160566295
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CID 159709187

Frequently Asked Questions

What is the IUPAC name of beryllium;benzo[h]quinoline;hydride;quinoline?
The IUPAC name of beryllium;benzo[h]quinoline;hydride;quinoline (CID 174631089) is beryllium;benzo[h]quinoline;hydride;quinoline.
What is the SMILES notation for beryllium;benzo[h]quinoline;hydride;quinoline?
The canonical SMILES for beryllium;benzo[h]quinoline;hydride;quinoline is [Be+2].[H-].[H-].c1ccc2c(c1)ccc1cccnc12.c1ccc2ncccc2c1.
What is the InChIKey of beryllium;benzo[h]quinoline;hydride;quinoline?
The InChIKey is JWTXBIHBWLVUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.C9H7N.Be.2H/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-9H;1-7H;;;/q;;+2;2*-1.
What are the key properties of beryllium;benzo[h]quinoline;hydride;quinoline?
beryllium;benzo[h]quinoline;hydride;quinoline has a molecular weight of 319.41 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;benzo[h]quinoline;hydride;quinoline is sourced from PubChem (CID 174631089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).