2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile

C18H11N5 — CID 169340670

IUPAC2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H11N5/c19-10-17(11-20)23-22-16-7-5-13(6-8-16)15-9-14-3-1-2-4-18(14)21-12-15/h1-9,12,22H
InChIKeyMHQISKXAPNNLQG-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.72
Rot. Bonds3

About 2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile

2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169340670) has the molecular formula C18H11N5 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169340670
Molecular FormulaC18H11N5
Molecular Weight297.32 g/mol
Exact Mass297.10
IUPAC Name2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H11N5/c19-10-17(11-20)23-22-16-7-5-13(6-8-16)15-9-14-3-1-2-4-18(14)21-12-15/h1-9,12,22H
InChIKeyMHQISKXAPNNLQG-UHFFFAOYSA-N
XLogP3.72
TPSA84.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'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 2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile (CID 169340670) is 2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(-c2cnc3ccccc3c2)cc1.
What is the InChIKey of 2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is MHQISKXAPNNLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5/c19-10-17(11-20)23-22-16-7-5-13(6-8-16)15-9-14-3-1-2-4-18(14)21-12-15/h1-9,12,22H.
What are the key properties of 2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile?
2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 297.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-quinolin-3-ylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).