2,3-diiminoquinoline-7,8-dicarbonitrile

C11H5N5 — CID 54227804

IUPAC2,3-diiminoquinoline-7,8-dicarbonitrile
SMILES[H]/N=C1\N=c2c(C#N)c(C#N)ccc2=C\C1=N/[H]
InChIInChI=1S/C11H5N5/c12-4-7-2-1-6-3-9(14)11(15)16-10(6)8(7)5-13/h1-3,14-15H/b14-9+,15-11-
InChIKeyQHCBSHVTSABKLY-PVMFERMNSA-N
MW207.20 g/mol
LogP-0.16
Rot. Bonds

About 2,3-diiminoquinoline-7,8-dicarbonitrile

2,3-diiminoquinoline-7,8-dicarbonitrile (PubChem CID 54227804) has the molecular formula C11H5N5 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2,3-diiminoquinoline-7,8-dicarbonitrile.

Molecular Properties

Compound Name2,3-diiminoquinoline-7,8-dicarbonitrile
PubChem CID54227804
Molecular FormulaC11H5N5
Molecular Weight207.20 g/mol
Exact Mass207.05
IUPAC Name2,3-diiminoquinoline-7,8-dicarbonitrile
SMILES[H]/N=C1\N=c2c(C#N)c(C#N)ccc2=C\C1=N/[H]
InChIInChI=1S/C11H5N5/c12-4-7-2-1-6-3-9(14)11(15)16-10(6)8(7)5-13/h1-3,14-15H/b14-9+,15-11-
InChIKeyQHCBSHVTSABKLY-PVMFERMNSA-N
XLogP-0.16
TPSA107.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diiminoquinoline-7,8-dicarbonitrile?
The IUPAC name of 2,3-diiminoquinoline-7,8-dicarbonitrile (CID 54227804) is 2,3-diiminoquinoline-7,8-dicarbonitrile.
What is the SMILES notation for 2,3-diiminoquinoline-7,8-dicarbonitrile?
The canonical SMILES for 2,3-diiminoquinoline-7,8-dicarbonitrile is [H]/N=C1\N=c2c(C#N)c(C#N)ccc2=C\C1=N/[H].
What is the InChIKey of 2,3-diiminoquinoline-7,8-dicarbonitrile?
The InChIKey is QHCBSHVTSABKLY-PVMFERMNSA-N. The full InChI is InChI=1S/C11H5N5/c12-4-7-2-1-6-3-9(14)11(15)16-10(6)8(7)5-13/h1-3,14-15H/b14-9+,15-11-.
What are the key properties of 2,3-diiminoquinoline-7,8-dicarbonitrile?
2,3-diiminoquinoline-7,8-dicarbonitrile has a molecular weight of 207.20 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiminoquinoline-7,8-dicarbonitrile is sourced from PubChem (CID 54227804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).