2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile

C12H7N5O — CID 169340145

IUPAC2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C12H7N5O/c13-6-10(7-14)17-16-9-3-1-8-2-4-12(18)15-11(8)5-9/h1-5,16H,(H,15,18)
InChIKeyFBOVLYDDQSYCTI-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.34
Rot. Bonds2

About 2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile

2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile (PubChem CID 169340145) has the molecular formula C12H7N5O and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile
PubChem CID169340145
Molecular FormulaC12H7N5O
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C12H7N5O/c13-6-10(7-14)17-16-9-3-1-8-2-4-12(18)15-11(8)5-9/h1-5,16H,(H,15,18)
InChIKeyFBOVLYDDQSYCTI-UHFFFAOYSA-N
XLogP1.34
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
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-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile (CID 169340145) is 2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of 2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
The InChIKey is FBOVLYDDQSYCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5O/c13-6-10(7-14)17-16-9-3-1-8-2-4-12(18)15-11(8)5-9/h1-5,16H,(H,15,18).
What are the key properties of 2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile?
2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile has a molecular weight of 237.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).