3-(Quinolin-8-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

HCID 413333

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6329-96-0
Standard SMILES: O=C(O)C1C2CCC(O2)C1C(=O)Nc1cccc2cccnc12
InChIKey: RDUVQHCMRVEVJK-UHFFFAOYSA-N
Molecular formula: C17H16N2O4
Average molar mass: 312.32 g/mol
Monoisotopic mass: 312.111007

Names & identifiers

Preferred name: 3-(Quinolin-8-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
IUPAC: 3-(quinolin-8-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

Names & synonyms

NSC471066329-96-03-(Quinolin-8-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acidNSC-47106CHEMBL1970349DTXSID103287023-((8-quinolinylamino)carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid3-[(QUINOLIN-8-YL)CARBAMOYL]-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID

Database identifiers

CAS: 6329-96-0
PubChem CID: 413333
DTXSID: DTXSID10328702
ChEMBL: CHEMBL1970349

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 88.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 23
Formal charge: 0
Complexity: 497

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…