Basic information
- CAS
485320-01-2- Standard SMILES
O=C(O)c1ccc2c(c1)C1C=CCC1C(c1ccncc1)N2- InChIKey
KRECIDINTYZSHC-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.12117776
Names & identifiers
- Preferred name
- Sbb027595
- IUPAC
- 4-pyridin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
- English name
- 4-Pyridin-4-yl-3a,4,5,9b-tetrahydro-3 H-cyclopenta[ C ]quinoline-8-carboxylic acid
- Molecular formula
- C20H20N2O2
- Molecular weight
- 320.39
Names & synonyms
485320-01-2SBB027595DTXSID10389676RefChem:379940DTXCID803405374-(Pyridin-4-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid4-Pyridin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid4-Pyridin-4-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta-[c]quinoline-8-carboxylic acidMLS0005234021005086-70-3C18H16N2O2SMR000123380
Show more names
4-Pyridin-4-yl-3a,4,5,9b-tetrahydro-3 H-cyclopenta[ C ]quinoline-8-carboxylic acid3H-Cyclopenta[c]quinoline-8-carboxylic acid, 3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-, ethyl ester, (3aR,4S,9bS)-rel-
4-(4-pyridyl)-3,4,5,3a,9b-pentahydrocyclopenta[1,2-c]quinoline-8-carboxylic ac id4190AEOprea1_245129Oprea1_491757CHEMBL1457676BDBM52516cid_3136296HMS2755N21
Database identifiers
- CAS
485320-01-2- PubChem CID
- 3136296
- DTXSID
DTXSID10389676- ChEMBL
CHEMBL1457676
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 492.56 · 492.560±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.179 · 1.179±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.865 · 4.865±0.12(predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers8 total
Fluorochem Ltd[email protected]
FLRO-SR[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
INTRCHM-FLUR[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
MATRIX[email protected]
CHEMCOLLECT[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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