9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid

C12H7ClN2O2 — CID 115045910

IUPAC9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid
SMILESO=C(O)c1cn2ccc3ccc(Cl)cc3c2n1
InChIInChI=1S/C12H7ClN2O2/c13-8-2-1-7-3-4-15-6-10(12(16)17)14-11(15)9(7)5-8/h1-6H,(H,16,17)
InChIKeyXDPQSMJQVRJQDG-UHFFFAOYSA-N
MW246.65 g/mol
LogP2.84
Rot. Bonds1

About 9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid

9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid (PubChem CID 115045910) has the molecular formula C12H7ClN2O2 and a molecular weight of 246.65 g/mol. Its IUPAC name is 9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid
PubChem CID115045910
Molecular FormulaC12H7ClN2O2
Molecular Weight246.65 g/mol
Exact Mass246.02
IUPAC Name9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid
SMILESO=C(O)c1cn2ccc3ccc(Cl)cc3c2n1
InChIInChI=1S/C12H7ClN2O2/c13-8-2-1-7-3-4-15-6-10(12(16)17)14-11(15)9(7)5-8/h1-6H,(H,16,17)
InChIKeyXDPQSMJQVRJQDG-UHFFFAOYSA-N
XLogP2.84
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methylimidazo[2,1-a]isoquinoline-2-carboxylic acid
CID 115035431
10-hydroxyimidazo[2,1-a]isoquinoline-2-carboxylic acid
CID 136999661
(8-chloroimidazo[2,1-a]isoquinolin-2-yl)methanamine
CID 115038584
imidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 19701499
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
4-amino-6-chloroquinoline-2-carboxylic acid
CID 46398171
8-fluoro-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 130064867
7-(1-chlorocyclopropyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 91062250
(7-chloroimidazo[1,2-a]pyridin-2-yl)-phenylmethanone
CID 67273335
7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 118971242
1-[(6-chloro-1-benzofuran-2-yl)methyl]triazole-4-carboxylic acid
CID 139488020
2-(3-chlorophenyl)imidazo[2,1-a]isoquinoline
CID 13156067

Frequently Asked Questions

What is the IUPAC name of 9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid?
The IUPAC name of 9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid (CID 115045910) is 9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid.
What is the SMILES notation for 9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid?
The canonical SMILES for 9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid is O=C(O)c1cn2ccc3ccc(Cl)cc3c2n1.
What is the InChIKey of 9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid?
The InChIKey is XDPQSMJQVRJQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2/c13-8-2-1-7-3-4-15-6-10(12(16)17)14-11(15)9(7)5-8/h1-6H,(H,16,17).
What are the key properties of 9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid?
9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid has a molecular weight of 246.65 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloroimidazo[2,1-a]isoquinoline-2-carboxylic acid is sourced from PubChem (CID 115045910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).