The Biofilms Structural Database
Name
2-nonylquinolin-4(1H)-one
Molecular Weight
271.4
Isomeric SMILES
CCCCCCCCCc1cc(=O)c2ccccc2[nH]1
Formula
C18H25NO
Identifiers
2-nonyl-1H-quinolin-4-one
Formal Charge
0
InChI
InChI=1S/C18H25NO/c1-2-3-4-5-6-7-8-11-15-14-18(20)16-12-9-10-13-17(16)19-15/h9-10,12-14H,2-8,11H2,1H3,(H,19,20)
Atom Count
45
InChIKey
KKRXDNYRUZGPFM-UHFFFAOYSA-N
PDB codes
4JVD
Type
Non-polymer
Chiral Atom Count
Chiral Atoms
n/a
Bond Count
46
Aromatic Bond Count
6
Leaving Atoms