N-(quinolin-3-yldiazenyl)quinolin-3-amine

C18H13N5 — CID 59318643

IUPACN-(quinolin-3-yldiazenyl)quinolin-3-amine
SMILESc1ccc2ncc(/N=N/Nc3cnc4ccccc4c3)cc2c1
InChIInChI=1S/C18H13N5/c1-3-7-17-13(5-1)9-15(11-19-17)21-23-22-16-10-14-6-2-4-8-18(14)20-12-16/h1-12H,(H,21,22)
InChIKeyNEKQZEKZPKIGHR-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.89
Rot. Bonds3

About N-(quinolin-3-yldiazenyl)quinolin-3-amine

N-(quinolin-3-yldiazenyl)quinolin-3-amine (PubChem CID 59318643) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is N-(quinolin-3-yldiazenyl)quinolin-3-amine.

Molecular Properties

Compound NameN-(quinolin-3-yldiazenyl)quinolin-3-amine
PubChem CID59318643
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC NameN-(quinolin-3-yldiazenyl)quinolin-3-amine
SMILESc1ccc2ncc(/N=N/Nc3cnc4ccccc4c3)cc2c1
InChIInChI=1S/C18H13N5/c1-3-7-17-13(5-1)9-15(11-19-17)21-23-22-16-10-14-6-2-4-8-18(14)20-12-16/h1-12H,(H,21,22)
InChIKeyNEKQZEKZPKIGHR-UHFFFAOYSA-N
XLogP4.89
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(quinolin-3-yldiazenyl)quinolin-3-amine?
The IUPAC name of N-(quinolin-3-yldiazenyl)quinolin-3-amine (CID 59318643) is N-(quinolin-3-yldiazenyl)quinolin-3-amine.
What is the SMILES notation for N-(quinolin-3-yldiazenyl)quinolin-3-amine?
The canonical SMILES for N-(quinolin-3-yldiazenyl)quinolin-3-amine is c1ccc2ncc(/N=N/Nc3cnc4ccccc4c3)cc2c1.
What is the InChIKey of N-(quinolin-3-yldiazenyl)quinolin-3-amine?
The InChIKey is NEKQZEKZPKIGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-3-7-17-13(5-1)9-15(11-19-17)21-23-22-16-10-14-6-2-4-8-18(14)20-12-16/h1-12H,(H,21,22).
What are the key properties of N-(quinolin-3-yldiazenyl)quinolin-3-amine?
N-(quinolin-3-yldiazenyl)quinolin-3-amine has a molecular weight of 299.34 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-3-yldiazenyl)quinolin-3-amine is sourced from PubChem (CID 59318643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).