benzo[b]quinolizin-5-ium-8-ol

C13H10NO+ — CID 15281361

IUPACbenzo[b]quinolizin-5-ium-8-ol
SMILESOc1ccc2cc3cccc[n+]3cc2c1
InChIInChI=1S/C13H9NO/c15-13-5-4-10-7-12-3-1-2-6-14(12)9-11(10)8-13/h1-9H/p+1
InChIKeyMSQOAVHPJKGZNF-UHFFFAOYSA-O
MW196.23 g/mol
LogP2.28
Rot. Bonds

About benzo[b]quinolizin-5-ium-8-ol

benzo[b]quinolizin-5-ium-8-ol (PubChem CID 15281361) has the molecular formula C13H10NO+ and a molecular weight of 196.23 g/mol. Its IUPAC name is benzo[b]quinolizin-5-ium-8-ol.

Molecular Properties

Compound Namebenzo[b]quinolizin-5-ium-8-ol
PubChem CID15281361
Molecular FormulaC13H10NO+
Molecular Weight196.23 g/mol
Exact Mass196.08
IUPAC Namebenzo[b]quinolizin-5-ium-8-ol
SMILESOc1ccc2cc3cccc[n+]3cc2c1
InChIInChI=1S/C13H9NO/c15-13-5-4-10-7-12-3-1-2-6-14(12)9-11(10)8-13/h1-9H/p+1
InChIKeyMSQOAVHPJKGZNF-UHFFFAOYSA-O
XLogP2.28
TPSA24.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze benzo[b]quinolizin-5-ium-8-ol with MolForge

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

Launch Full Analysis

Related Compounds

4,21-diazoniapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene iodide
CID 54611068
naphthalen-2-ol
CID 71750931
benzo[b]quinolizin-5-ium-8,9,10-triol bromide
CID 157337044
CID 69280188
CID 69280188
ethane;naphthalen-2-ol
CID 91107047
N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine
CID 86257749
2-benzo[b]quinolizin-5-ium-9-ylisoindole-1,3-dione
CID 102007402
sodium;hydride;naphthalene-2,6-diol
CID 174639769
naphthalene-1,4-diol;naphthalene-2,6-diol
CID 67516588
naphthalene-2,6-diol;phenylmethanamine
CID 139184911
naphthalene-2,6-diol;phenylmethanamine
CID 11482538
bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
CID 90749949

Frequently Asked Questions

What is the IUPAC name of benzo[b]quinolizin-5-ium-8-ol?
The IUPAC name of benzo[b]quinolizin-5-ium-8-ol (CID 15281361) is benzo[b]quinolizin-5-ium-8-ol.
What is the SMILES notation for benzo[b]quinolizin-5-ium-8-ol?
The canonical SMILES for benzo[b]quinolizin-5-ium-8-ol is Oc1ccc2cc3cccc[n+]3cc2c1.
What is the InChIKey of benzo[b]quinolizin-5-ium-8-ol?
The InChIKey is MSQOAVHPJKGZNF-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H9NO/c15-13-5-4-10-7-12-3-1-2-6-14(12)9-11(10)8-13/h1-9H/p+1.
What are the key properties of benzo[b]quinolizin-5-ium-8-ol?
benzo[b]quinolizin-5-ium-8-ol has a molecular weight of 196.23 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b]quinolizin-5-ium-8-ol is sourced from PubChem (CID 15281361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).