485320-01-2
4-PYRIDIN-4-YL-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA-[C]QUINOLINE-8-CARBOXYLIC ACID
Name4-PYRIDIN-4-YL-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA-[C]QUINOLINE-8-CARBOXYLIC ACID
1Identification
【Name】
4-PYRIDIN-4-YL-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA-[C]QUINOLINE-8-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD02226016
【English Synonyms】
【Formula】
C18 H16 N2 O2
【MolWeight】
292.336
【Inchi】
InChI=1S/C18H16N2O2/c21-18(22)12-4-5-16-15(10-12)13-2-1-3-14(13)17(20-16)11-6-8-19-9-7-11/h1-2,4-10,13-14,17,20H,3H2,(H,21,22)
【InChIKey】
InChIKey=KRECIDINTYZSHC-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1C(=O)O)C3C=CCC3C(N2)c4ccncc4
【MOL File】
4-PYRIDIN-4-YL-3A,4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-PYRIDIN-4-YL-3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA-[C]QUINOLINE-8-CARBOXYLIC ACID.cml