quinoline-7,8-diamine

C9H9N3 — CID 12663943

IUPACquinoline-7,8-diamine
SMILESNc1ccc2cccnc2c1N
InChIInChI=1S/C9H9N3/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h1-5H,10-11H2
InChIKeyUUCNOUOCQLCWFP-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.40
Rot. Bonds

About quinoline-7,8-diamine

quinoline-7,8-diamine (PubChem CID 12663943) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is quinoline-7,8-diamine.

Molecular Properties

Compound Namequinoline-7,8-diamine
PubChem CID12663943
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Namequinoline-7,8-diamine
SMILESNc1ccc2cccnc2c1N
InChIInChI=1S/C9H9N3/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h1-5H,10-11H2
InChIKeyUUCNOUOCQLCWFP-UHFFFAOYSA-N
XLogP1.40
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze quinoline-7,8-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 quinoline-7,8-diamine?
The IUPAC name of quinoline-7,8-diamine (CID 12663943) is quinoline-7,8-diamine.
What is the SMILES notation for quinoline-7,8-diamine?
The canonical SMILES for quinoline-7,8-diamine is Nc1ccc2cccnc2c1N.
What is the InChIKey of quinoline-7,8-diamine?
The InChIKey is UUCNOUOCQLCWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-7-4-3-6-2-1-5-12-9(6)8(7)11/h1-5H,10-11H2.
What are the key properties of quinoline-7,8-diamine?
quinoline-7,8-diamine has a molecular weight of 159.19 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-7,8-diamine is sourced from PubChem (CID 12663943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).