6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine

C13H13N2+ — CID 123858590

IUPAC6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine
SMILESNC1c2ccccc2Cc2cccc[n+]21
InChIInChI=1S/C13H13N2/c14-13-12-7-2-1-5-10(12)9-11-6-3-4-8-15(11)13/h1-8,13H,9,14H2/q+1
InChIKeyRSTVJJSAGGUHMZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.38
Rot. Bonds

About 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine

6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine (PubChem CID 123858590) has the molecular formula C13H13N2+ and a molecular weight of 197.26 g/mol. Its IUPAC name is 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine.

Molecular Properties

Compound Name6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine
PubChem CID123858590
Molecular FormulaC13H13N2+
Molecular Weight197.26 g/mol
Exact Mass197.11
IUPAC Name6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine
SMILESNC1c2ccccc2Cc2cccc[n+]21
InChIInChI=1S/C13H13N2/c14-13-12-7-2-1-5-10(12)9-11-6-3-4-8-15(11)13/h1-8,13H,9,14H2/q+1
InChIKeyRSTVJJSAGGUHMZ-UHFFFAOYSA-N
XLogP1.38
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine 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

decacyclo[57.4.0.03,8.010,15.017,22.024,29.031,36.038,43.045,50.052,57]trihexaconta-1(63),3,5,7,10,12,14,17,19,21,24,26,28,31,33,35,38,40,42,45,47,49,52,54,56,59,61-heptacosaene-2,16-diol
CID 10033475
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
2,32-diazonianonacyclo[17.13.1.11,21.12,6.08,13.015,33.027,32.014,35.025,34]pentatriaconta-2,4,6(35),8,10,12,15,17,19(33),21(34),22,24,27,29,31-pentadecaene
CID 158508309
ethane;bis(pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene)
CID 167587825
5a,11,11a,12-tetrahydroindolizino[2,3-b]indolizine-5,6-diium
CID 143965804
9-iodo-9,10-dihydroanthracene
CID 70258846
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
(NZ)-N-(1-amino-1,3-dihydroinden-2-ylidene)hydroxylamine
CID 58684839
(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 51899506
(1S)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 59444842
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1R)-2-methyl-2,3-dihydro-1H-inden-1-amine
CID 55285370

Frequently Asked Questions

What is the IUPAC name of 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine?
The IUPAC name of 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine (CID 123858590) is 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine.
What is the SMILES notation for 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine?
The canonical SMILES for 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine is NC1c2ccccc2Cc2cccc[n+]21.
What is the InChIKey of 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine?
The InChIKey is RSTVJJSAGGUHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2/c14-13-12-7-2-1-5-10(12)9-11-6-3-4-8-15(11)13/h1-8,13H,9,14H2/q+1.
What are the key properties of 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine?
6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine has a molecular weight of 197.26 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydrobenzo[b]quinolizin-5-ium-6-amine is sourced from PubChem (CID 123858590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).