11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol

C17H14NO2+ — CID 19047570

IUPAC11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol
SMILESOc1cccc2c1C(c1ccoc1)c1cccc[n+]1C2
InChIInChI=1S/C17H13NO2/c19-15-6-3-4-12-10-18-8-2-1-5-14(18)16(17(12)15)13-7-9-20-11-13/h1-9,11,16H,10H2/p+1
InChIKeyIIRDGCFLOMSABI-UHFFFAOYSA-O
MW264.30 g/mol
LogP2.81
Rot. Bonds1

About 11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol

11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol (PubChem CID 19047570) has the molecular formula C17H14NO2+ and a molecular weight of 264.30 g/mol. Its IUPAC name is 11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol.

Molecular Properties

Compound Name11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol
PubChem CID19047570
Molecular FormulaC17H14NO2+
Molecular Weight264.30 g/mol
Exact Mass264.10
IUPAC Name11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol
SMILESOc1cccc2c1C(c1ccoc1)c1cccc[n+]1C2
InChIInChI=1S/C17H13NO2/c19-15-6-3-4-12-10-18-8-2-1-5-14(18)16(17(12)15)13-7-9-20-11-13/h1-9,11,16H,10H2/p+1
InChIKeyIIRDGCFLOMSABI-UHFFFAOYSA-O
XLogP2.81
TPSA37.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol?
The IUPAC name of 11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol (CID 19047570) is 11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol.
What is the SMILES notation for 11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol?
The canonical SMILES for 11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol is Oc1cccc2c1C(c1ccoc1)c1cccc[n+]1C2.
What is the InChIKey of 11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol?
The InChIKey is IIRDGCFLOMSABI-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H13NO2/c19-15-6-3-4-12-10-18-8-2-1-5-14(18)16(17(12)15)13-7-9-20-11-13/h1-9,11,16H,10H2/p+1.
What are the key properties of 11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol?
11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol has a molecular weight of 264.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(furan-3-yl)-6,11-dihydrobenzo[b]quinolizin-5-ium-10-ol is sourced from PubChem (CID 19047570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).