imidazo[2,1-a]isoquinoline-2-carboxylic acid

C12H8N2O2 — CID 12664187

IUPACimidazo[2,1-a]isoquinoline-2-carboxylic acid
SMILESO=C(O)c1cn2ccc3ccccc3c2n1
InChIInChI=1S/C12H8N2O2/c15-12(16)10-7-14-6-5-8-3-1-2-4-9(8)11(14)13-10/h1-7H,(H,15,16)
InChIKeyDDUOIOSGWMYPFF-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.19
Rot. Bonds1

About imidazo[2,1-a]isoquinoline-2-carboxylic acid

imidazo[2,1-a]isoquinoline-2-carboxylic acid (PubChem CID 12664187) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is imidazo[2,1-a]isoquinoline-2-carboxylic acid.

Molecular Properties

Compound Nameimidazo[2,1-a]isoquinoline-2-carboxylic acid
PubChem CID12664187
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Nameimidazo[2,1-a]isoquinoline-2-carboxylic acid
SMILESO=C(O)c1cn2ccc3ccccc3c2n1
InChIInChI=1S/C12H8N2O2/c15-12(16)10-7-14-6-5-8-3-1-2-4-9(8)11(14)13-10/h1-7H,(H,15,16)
InChIKeyDDUOIOSGWMYPFF-UHFFFAOYSA-N
XLogP2.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-a]isoquinoline-2-carboxylic acid?
The IUPAC name of imidazo[2,1-a]isoquinoline-2-carboxylic acid (CID 12664187) is imidazo[2,1-a]isoquinoline-2-carboxylic acid.
What is the SMILES notation for imidazo[2,1-a]isoquinoline-2-carboxylic acid?
The canonical SMILES for imidazo[2,1-a]isoquinoline-2-carboxylic acid is O=C(O)c1cn2ccc3ccccc3c2n1.
What is the InChIKey of imidazo[2,1-a]isoquinoline-2-carboxylic acid?
The InChIKey is DDUOIOSGWMYPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-12(16)10-7-14-6-5-8-3-1-2-4-9(8)11(14)13-10/h1-7H,(H,15,16).
What are the key properties of imidazo[2,1-a]isoquinoline-2-carboxylic acid?
imidazo[2,1-a]isoquinoline-2-carboxylic acid has a molecular weight of 212.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-a]isoquinoline-2-carboxylic acid is sourced from PubChem (CID 12664187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).