2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine

C15H14N4 — CID 43450886

IUPAC2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(NCc3ccncc3)ccc2c1
InChIInChI=1S/C15H14N4/c16-13-2-3-14-12(9-13)1-4-15(19-14)18-10-11-5-7-17-8-6-11/h1-9H,10,16H2,(H,18,19)
InChIKeyPLZSWEHIMWJWLT-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.82
Rot. Bonds3

About 2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine

2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine (PubChem CID 43450886) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine
PubChem CID43450886
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(NCc3ccncc3)ccc2c1
InChIInChI=1S/C15H14N4/c16-13-2-3-14-12(9-13)1-4-15(19-14)18-10-11-5-7-17-8-6-11/h1-9H,10,16H2,(H,18,19)
InChIKeyPLZSWEHIMWJWLT-UHFFFAOYSA-N
XLogP2.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine (CID 43450886) is 2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine is Nc1ccc2nc(NCc3ccncc3)ccc2c1.
What is the InChIKey of 2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine?
The InChIKey is PLZSWEHIMWJWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-13-2-3-14-12(9-13)1-4-15(19-14)18-10-11-5-7-17-8-6-11/h1-9H,10,16H2,(H,18,19).
What are the key properties of 2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine?
2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine has a molecular weight of 250.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine is sourced from PubChem (CID 43450886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).