[1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid

C10H5N3O3 — CID 15648100

IUPAC[1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid
SMILESO=C(O)c1nc2nonc2c2ccccc12
InChIInChI=1S/C10H5N3O3/c14-10(15)8-6-4-2-1-3-5(6)7-9(11-8)13-16-12-7/h1-4H,(H,14,15)
InChIKeyZCOGAQXQCJOASM-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.47
Rot. Bonds1

About [1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid

[1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid (PubChem CID 15648100) has the molecular formula C10H5N3O3 and a molecular weight of 215.17 g/mol. Its IUPAC name is [1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid.

Molecular Properties

Compound Name[1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid
PubChem CID15648100
Molecular FormulaC10H5N3O3
Molecular Weight215.17 g/mol
Exact Mass215.03
IUPAC Name[1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid
SMILESO=C(O)c1nc2nonc2c2ccccc12
InChIInChI=1S/C10H5N3O3/c14-10(15)8-6-4-2-1-3-5(6)7-9(11-8)13-16-12-7/h1-4H,(H,14,15)
InChIKeyZCOGAQXQCJOASM-UHFFFAOYSA-N
XLogP1.47
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

iridium;phenanthridine-6-carboxylic acid
CID 59015465
3,4-dimethoxyisoquinoline-1-carboxylic acid
CID 91217863
4-benzamido-1,2,5-oxadiazole-3-carboxylic acid
CID 84614613
9-aminophenanthridine-6-carboxylic acid
CID 131861121
3-phenylisoquinoline-1-carboxylic acid
CID 13336383
4-naphthalen-1-yl-1,2-oxazole-3-carboxylic acid
CID 154791566
3,5-dimethylisoquinoline-1-carboxylic acid
CID 84670077
ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid
CID 142808011
3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988
7-hydroxy-1,2-benzoxazole-3-carboxylic acid
CID 84656727
benzo[b]phenazine-6,11-dicarboxylic acid
CID 154692279
2-amino-8-chloroquinazoline-4-carboxylic acid
CID 105481373

Frequently Asked Questions

What is the IUPAC name of [1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid?
The IUPAC name of [1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid (CID 15648100) is [1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid.
What is the SMILES notation for [1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid?
The canonical SMILES for [1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid is O=C(O)c1nc2nonc2c2ccccc12.
What is the InChIKey of [1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid?
The InChIKey is ZCOGAQXQCJOASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O3/c14-10(15)8-6-4-2-1-3-5(6)7-9(11-8)13-16-12-7/h1-4H,(H,14,15).
What are the key properties of [1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid?
[1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid has a molecular weight of 215.17 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,5]oxadiazolo[3,4-c]isoquinoline-5-carboxylic acid is sourced from PubChem (CID 15648100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).