2,3-dimethylquinoline-4,5-dicarbonitrile

C13H9N3 — CID 68560454

IUPAC2,3-dimethylquinoline-4,5-dicarbonitrile
SMILESCc1nc2cccc(C#N)c2c(C#N)c1C
InChIInChI=1S/C13H9N3/c1-8-9(2)16-12-5-3-4-10(6-14)13(12)11(8)7-15/h3-5H,1-2H3
InChIKeyXIOMCMHJZNSCEB-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.60
Rot. Bonds

About 2,3-dimethylquinoline-4,5-dicarbonitrile

2,3-dimethylquinoline-4,5-dicarbonitrile (PubChem CID 68560454) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 2,3-dimethylquinoline-4,5-dicarbonitrile.

Molecular Properties

Compound Name2,3-dimethylquinoline-4,5-dicarbonitrile
PubChem CID68560454
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name2,3-dimethylquinoline-4,5-dicarbonitrile
SMILESCc1nc2cccc(C#N)c2c(C#N)c1C
InChIInChI=1S/C13H9N3/c1-8-9(2)16-12-5-3-4-10(6-14)13(12)11(8)7-15/h3-5H,1-2H3
InChIKeyXIOMCMHJZNSCEB-UHFFFAOYSA-N
XLogP2.60
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylquinoline-4,5-dicarbonitrile?
The IUPAC name of 2,3-dimethylquinoline-4,5-dicarbonitrile (CID 68560454) is 2,3-dimethylquinoline-4,5-dicarbonitrile.
What is the SMILES notation for 2,3-dimethylquinoline-4,5-dicarbonitrile?
The canonical SMILES for 2,3-dimethylquinoline-4,5-dicarbonitrile is Cc1nc2cccc(C#N)c2c(C#N)c1C.
What is the InChIKey of 2,3-dimethylquinoline-4,5-dicarbonitrile?
The InChIKey is XIOMCMHJZNSCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c1-8-9(2)16-12-5-3-4-10(6-14)13(12)11(8)7-15/h3-5H,1-2H3.
What are the key properties of 2,3-dimethylquinoline-4,5-dicarbonitrile?
2,3-dimethylquinoline-4,5-dicarbonitrile has a molecular weight of 207.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylquinoline-4,5-dicarbonitrile is sourced from PubChem (CID 68560454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).