6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid

C15H11N3O2 — CID 11207809

IUPAC6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCc1nc2c3ccccc3c(C#N)c(C)n2c1C(=O)O
InChIInChI=1S/C15H11N3O2/c1-8-13(15(19)20)18-9(2)12(7-16)10-5-3-4-6-11(10)14(18)17-8/h3-6H,1-2H3,(H,19,20)
InChIKeySTLSZCMVRVJMIX-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.67
Rot. Bonds1

About 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid

6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid (PubChem CID 11207809) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid
PubChem CID11207809
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCc1nc2c3ccccc3c(C#N)c(C)n2c1C(=O)O
InChIInChI=1S/C15H11N3O2/c1-8-13(15(19)20)18-9(2)12(7-16)10-5-3-4-6-11(10)14(18)17-8/h3-6H,1-2H3,(H,19,20)
InChIKeySTLSZCMVRVJMIX-UHFFFAOYSA-N
XLogP2.67
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid?
The IUPAC name of 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid (CID 11207809) is 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid?
The canonical SMILES for 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid is Cc1nc2c3ccccc3c(C#N)c(C)n2c1C(=O)O.
What is the InChIKey of 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid?
The InChIKey is STLSZCMVRVJMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-8-13(15(19)20)18-9(2)12(7-16)10-5-3-4-6-11(10)14(18)17-8/h3-6H,1-2H3,(H,19,20).
What are the key properties of 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid?
6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid is sourced from PubChem (CID 11207809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).