benzo[h]quinoline-5,10-diamine

C13H11N3 — CID 121329472

IUPACbenzo[h]quinoline-5,10-diamine
SMILESNc1cc2cccc(N)c2c2ncccc12
InChIInChI=1S/C13H11N3/c14-10-5-1-3-8-7-11(15)9-4-2-6-16-13(9)12(8)10/h1-7H,14-15H2
InChIKeyRDLZVZQPCKKUEE-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.55
Rot. Bonds

About benzo[h]quinoline-5,10-diamine

benzo[h]quinoline-5,10-diamine (PubChem CID 121329472) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is benzo[h]quinoline-5,10-diamine.

Molecular Properties

Compound Namebenzo[h]quinoline-5,10-diamine
PubChem CID121329472
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Namebenzo[h]quinoline-5,10-diamine
SMILESNc1cc2cccc(N)c2c2ncccc12
InChIInChI=1S/C13H11N3/c14-10-5-1-3-8-7-11(15)9-4-2-6-16-13(9)12(8)10/h1-7H,14-15H2
InChIKeyRDLZVZQPCKKUEE-UHFFFAOYSA-N
XLogP2.55
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzo[h]quinoline-5,10-diamine 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 benzo[h]quinoline-5,10-diamine?
The IUPAC name of benzo[h]quinoline-5,10-diamine (CID 121329472) is benzo[h]quinoline-5,10-diamine.
What is the SMILES notation for benzo[h]quinoline-5,10-diamine?
The canonical SMILES for benzo[h]quinoline-5,10-diamine is Nc1cc2cccc(N)c2c2ncccc12.
What is the InChIKey of benzo[h]quinoline-5,10-diamine?
The InChIKey is RDLZVZQPCKKUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-10-5-1-3-8-7-11(15)9-4-2-6-16-13(9)12(8)10/h1-7H,14-15H2.
What are the key properties of benzo[h]quinoline-5,10-diamine?
benzo[h]quinoline-5,10-diamine has a molecular weight of 209.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[h]quinoline-5,10-diamine is sourced from PubChem (CID 121329472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).