2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile

C12H6ClN5O — CID 169339177

IUPAC2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C12H6ClN5O/c13-9-4-10(18-17-7(5-14)6-15)12(19)11-8(9)2-1-3-16-11/h1-4,18-19H
InChIKeyAIXHYLDSFYBUAV-UHFFFAOYSA-N
MW271.67 g/mol
LogP2.41
Rot. Bonds2

About 2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile

2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile (PubChem CID 169339177) has the molecular formula C12H6ClN5O and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile
PubChem CID169339177
Molecular FormulaC12H6ClN5O
Molecular Weight271.67 g/mol
Exact Mass271.03
IUPAC Name2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C12H6ClN5O/c13-9-4-10(18-17-7(5-14)6-15)12(19)11-8(9)2-1-3-16-11/h1-4,18-19H
InChIKeyAIXHYLDSFYBUAV-UHFFFAOYSA-N
XLogP2.41
TPSA105.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile (CID 169339177) is 2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(Cl)c2cccnc2c1O.
What is the InChIKey of 2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile?
The InChIKey is AIXHYLDSFYBUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClN5O/c13-9-4-10(18-17-7(5-14)6-15)12(19)11-8(9)2-1-3-16-11/h1-4,18-19H.
What are the key properties of 2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile?
2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile has a molecular weight of 271.67 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).