2,3-diiminoquinoline-4-carbonitrile

C10H6N4 — CID 68522826

IUPAC2,3-diiminoquinoline-4-carbonitrile
SMILES[H]/N=C1\N=c2ccccc2=C(C#N)\C1=N\[H]
InChIInChI=1S/C10H6N4/c11-5-7-6-3-1-2-4-8(6)14-10(13)9(7)12/h1-4,12-13H/b12-9-,13-10-
InChIKeyZYBNOCIYDSMFQF-QKFASICWSA-N
MW182.19 g/mol
LogP-0.01
Rot. Bonds

About 2,3-diiminoquinoline-4-carbonitrile

2,3-diiminoquinoline-4-carbonitrile (PubChem CID 68522826) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2,3-diiminoquinoline-4-carbonitrile.

Molecular Properties

Compound Name2,3-diiminoquinoline-4-carbonitrile
PubChem CID68522826
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Name2,3-diiminoquinoline-4-carbonitrile
SMILES[H]/N=C1\N=c2ccccc2=C(C#N)\C1=N\[H]
InChIInChI=1S/C10H6N4/c11-5-7-6-3-1-2-4-8(6)14-10(13)9(7)12/h1-4,12-13H/b12-9-,13-10-
InChIKeyZYBNOCIYDSMFQF-QKFASICWSA-N
XLogP-0.01
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-carbonitrile?
The IUPAC name of 2,3-diiminoquinoline-4-carbonitrile (CID 68522826) is 2,3-diiminoquinoline-4-carbonitrile.
What is the SMILES notation for 2,3-diiminoquinoline-4-carbonitrile?
The canonical SMILES for 2,3-diiminoquinoline-4-carbonitrile is [H]/N=C1\N=c2ccccc2=C(C#N)\C1=N\[H].
What is the InChIKey of 2,3-diiminoquinoline-4-carbonitrile?
The InChIKey is ZYBNOCIYDSMFQF-QKFASICWSA-N. The full InChI is InChI=1S/C10H6N4/c11-5-7-6-3-1-2-4-8(6)14-10(13)9(7)12/h1-4,12-13H/b12-9-,13-10-.
What are the key properties of 2,3-diiminoquinoline-4-carbonitrile?
2,3-diiminoquinoline-4-carbonitrile has a molecular weight of 182.19 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiminoquinoline-4-carbonitrile is sourced from PubChem (CID 68522826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).