6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene

C18H15NO4 — CID 174370193

IUPAC6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
SMILESCOc1ccc2nc(C(=O)O)ccc2c1.c1cc2cc(c1)OC2
InChIInChI=1S/C11H9NO3.C7H6O/c1-15-8-3-5-9-7(6-8)2-4-10(12-9)11(13)14;1-2-6-4-7(3-1)8-5-6/h2-6H,1H3,(H,13,14);1-4H,5H2
InChIKeyXGWMBCXNVXDCPC-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.52
Rot. Bonds2

About 6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene

6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene (PubChem CID 174370193) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene.

Molecular Properties

Compound Name6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
PubChem CID174370193
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene
SMILESCOc1ccc2nc(C(=O)O)ccc2c1.c1cc2cc(c1)OC2
InChIInChI=1S/C11H9NO3.C7H6O/c1-15-8-3-5-9-7(6-8)2-4-10(12-9)11(13)14;1-2-6-4-7(3-1)8-5-6/h2-6H,1H3,(H,13,14);1-4H,5H2
InChIKeyXGWMBCXNVXDCPC-UHFFFAOYSA-N
XLogP3.52
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The IUPAC name of 6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene (CID 174370193) is 6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene.
What is the SMILES notation for 6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The canonical SMILES for 6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene is COc1ccc2nc(C(=O)O)ccc2c1.c1cc2cc(c1)OC2.
What is the InChIKey of 6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
The InChIKey is XGWMBCXNVXDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3.C7H6O/c1-15-8-3-5-9-7(6-8)2-4-10(12-9)11(13)14;1-2-6-4-7(3-1)8-5-6/h2-6H,1H3,(H,13,14);1-4H,5H2.
What are the key properties of 6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene?
6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene has a molecular weight of 309.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyquinoline-2-carboxylic acid;6-oxabicyclo[3.2.1]octa-1(8),2,4-triene is sourced from PubChem (CID 174370193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).