2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid

C14H12N2O2 — CID 115043549

IUPAC2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCc1nc2c3c(C)cccc3ccn2c1C(=O)O
InChIInChI=1S/C14H12N2O2/c1-8-4-3-5-10-6-7-16-12(14(17)18)9(2)15-13(16)11(8)10/h3-7H,1-2H3,(H,17,18)
InChIKeyNFNWQSILEMEUMM-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.80
Rot. Bonds1

About 2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid

2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid (PubChem CID 115043549) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid
PubChem CID115043549
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid
SMILESCc1nc2c3c(C)cccc3ccn2c1C(=O)O
InChIInChI=1S/C14H12N2O2/c1-8-4-3-5-10-6-7-16-12(14(17)18)9(2)15-13(16)11(8)10/h3-7H,1-2H3,(H,17,18)
InChIKeyNFNWQSILEMEUMM-UHFFFAOYSA-N
XLogP2.80
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid?
The IUPAC name of 2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid (CID 115043549) is 2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid.
What is the SMILES notation for 2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid?
The canonical SMILES for 2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid is Cc1nc2c3c(C)cccc3ccn2c1C(=O)O.
What is the InChIKey of 2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid?
The InChIKey is NFNWQSILEMEUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-4-3-5-10-6-7-16-12(14(17)18)9(2)15-13(16)11(8)10/h3-7H,1-2H3,(H,17,18).
What are the key properties of 2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid?
2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-dimethylimidazo[2,1-a]isoquinoline-3-carboxylic acid is sourced from PubChem (CID 115043549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).