16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride

C24H20ClNO2 — CID 15281284

IUPAC16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
SMILESCC12CC(c3ccoc3)(c3ccoc3)C(c3ccccc31)c1cccc[n+]12.[Cl-]
InChIInChI=1S/C24H20NO2.ClH/c1-23-16-24(17-9-12-26-14-17,18-10-13-27-15-18)22(19-6-2-3-7-20(19)23)21-8-4-5-11-25(21)23;/h2-15,22H,16H2,1H3;1H/q+1;/p-1
InChIKeyAVVXZWFGWAMNDN-UHFFFAOYSA-M
MW389.88 g/mol
LogP1.76
Rot. Bonds2

About 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride

16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride (PubChem CID 15281284) has the molecular formula C24H20ClNO2 and a molecular weight of 389.88 g/mol. Its IUPAC name is 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride.

Molecular Properties

Compound Name16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
PubChem CID15281284
Molecular FormulaC24H20ClNO2
Molecular Weight389.88 g/mol
Exact Mass389.12
IUPAC Name16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
SMILESCC12CC(c3ccoc3)(c3ccoc3)C(c3ccccc31)c1cccc[n+]12.[Cl-]
InChIInChI=1S/C24H20NO2.ClH/c1-23-16-24(17-9-12-26-14-17,18-10-13-27-15-18)22(19-6-2-3-7-20(19)23)21-8-4-5-11-25(21)23;/h2-15,22H,16H2,1H3;1H/q+1;/p-1
InChIKeyAVVXZWFGWAMNDN-UHFFFAOYSA-M
XLogP1.76
TPSA30.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride?
The IUPAC name of 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride (CID 15281284) is 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride.
What is the SMILES notation for 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride?
The canonical SMILES for 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride is CC12CC(c3ccoc3)(c3ccoc3)C(c3ccccc31)c1cccc[n+]12.[Cl-].
What is the InChIKey of 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride?
The InChIKey is AVVXZWFGWAMNDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20NO2.ClH/c1-23-16-24(17-9-12-26-14-17,18-10-13-27-15-18)22(19-6-2-3-7-20(19)23)21-8-4-5-11-25(21)23;/h2-15,22H,16H2,1H3;1H/q+1;/p-1.
What are the key properties of 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride?
16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride has a molecular weight of 389.88 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16-bis(furan-3-yl)-1-methyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride is sourced from PubChem (CID 15281284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).