N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine

C15H12N4 — CID 6436860

IUPACN-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine
SMILESC(=N/Nc1ccc2ccccc2n1)\c1ccccn1
InChIInChI=1S/C15H12N4/c1-2-7-14-12(5-1)8-9-15(18-14)19-17-11-13-6-3-4-10-16-13/h1-11H,(H,18,19)/b17-11+
InChIKeyRQKUHYQNHJJIFO-GZTJUZNOSA-N
MW248.29 g/mol
LogP3.08
Rot. Bonds3

About N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine

N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine (PubChem CID 6436860) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine.

Molecular Properties

Compound NameN-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine
PubChem CID6436860
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC NameN-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine
SMILESC(=N/Nc1ccc2ccccc2n1)\c1ccccn1
InChIInChI=1S/C15H12N4/c1-2-7-14-12(5-1)8-9-15(18-14)19-17-11-13-6-3-4-10-16-13/h1-11H,(H,18,19)/b17-11+
InChIKeyRQKUHYQNHJJIFO-GZTJUZNOSA-N
XLogP3.08
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine?
The IUPAC name of N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine (CID 6436860) is N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine.
What is the SMILES notation for N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine?
The canonical SMILES for N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine is C(=N/Nc1ccc2ccccc2n1)\c1ccccn1.
What is the InChIKey of N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine?
The InChIKey is RQKUHYQNHJJIFO-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H12N4/c1-2-7-14-12(5-1)8-9-15(18-14)19-17-11-13-6-3-4-10-16-13/h1-11H,(H,18,19)/b17-11+.
What are the key properties of N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine?
N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine has a molecular weight of 248.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-2-ylmethylideneamino]quinolin-2-amine is sourced from PubChem (CID 6436860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).