7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid

C17H15NO6S — CID 87097230

IUPAC7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid
SMILESCOc1cc(OS(=O)(=O)C2CC2)cn2c1c(C(=O)O)c1ccccc12
InChIInChI=1S/C17H15NO6S/c1-23-14-8-10(24-25(21,22)11-6-7-11)9-18-13-5-3-2-4-12(13)15(16(14)18)17(19)20/h2-5,8-9,11H,6-7H2,1H3,(H,19,20)
InChIKeyUKKUVUWWFIVERQ-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.67
Rot. Bonds5

About 7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid

7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid (PubChem CID 87097230) has the molecular formula C17H15NO6S and a molecular weight of 361.38 g/mol. Its IUPAC name is 7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid.

Molecular Properties

Compound Name7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid
PubChem CID87097230
Molecular FormulaC17H15NO6S
Molecular Weight361.38 g/mol
Exact Mass361.06
IUPAC Name7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid
SMILESCOc1cc(OS(=O)(=O)C2CC2)cn2c1c(C(=O)O)c1ccccc12
InChIInChI=1S/C17H15NO6S/c1-23-14-8-10(24-25(21,22)11-6-7-11)9-18-13-5-3-2-4-12(13)15(16(14)18)17(19)20/h2-5,8-9,11H,6-7H2,1H3,(H,19,20)
InChIKeyUKKUVUWWFIVERQ-UHFFFAOYSA-N
XLogP2.67
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid?
The IUPAC name of 7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid (CID 87097230) is 7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid.
What is the SMILES notation for 7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid?
The canonical SMILES for 7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid is COc1cc(OS(=O)(=O)C2CC2)cn2c1c(C(=O)O)c1ccccc12.
What is the InChIKey of 7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid?
The InChIKey is UKKUVUWWFIVERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6S/c1-23-14-8-10(24-25(21,22)11-6-7-11)9-18-13-5-3-2-4-12(13)15(16(14)18)17(19)20/h2-5,8-9,11H,6-7H2,1H3,(H,19,20).
What are the key properties of 7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid?
7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid has a molecular weight of 361.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyloxy-9-methoxypyrido[1,2-a]indole-10-carboxylic acid is sourced from PubChem (CID 87097230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).