11H-Cyclohepta(b)quinolin-11-one, 5,6,7,8,9,10-hexahydro-
Basic information
- CAS
5220-39-3- Standard SMILES
O=c1c2c([nH]c3ccccc13)CCCCC2- InChIKey
LDMBBNQWWBTULE-UHFFFAOYSA-N- Molecular formula
- C14H15NO
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.1153641
Names & identifiers
- Preferred name
- 11H-Cyclohepta(b)quinolin-11-one, 5,6,7,8,9,10-hexahydro-
- IUPAC
- 5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
- English name
- 5,6,7,8,9,10-HEXAHYDRO-CYCLOHEPTA[B]QUINOLIN-11-ONE
- Molecular formula
- C14H15NO
- Molecular weight
- 213.27
Names & synonyms
5220-39-35,6,7,8,9,10-Hexahydro-cyclohepta[b]quinolin-11-oneBRN 152922211H-CYCLOHEPTA(b)QUINOLIN-11-ONE, 5,6,7,8,9,10-HEXAHYDRO-5-21-08-00522 (Beilstein Handbook Reference)DTXSID802002435,6,7,8,9,10-Hexahydro-cyclohepta(b)quinolin-11-oneRefChem:236242DTXCID80122734LDMBBNQWWBTULE-UHFFFAOYSA-N7,8,9,10-Tetrahydro-5H-cyclohepta[b]quinolin-11(6H)-one5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
Show more names
5,6,7,8,9,10-hexahydro-11h-cyclohepta(b)quinolin-11-on6,7,8,9,10,11-Hexahydro-5H-cyclohepta[b]quinoline-11-one11H-Cyclohepta[b]quinolin-11-one, 5,6,7,8,9,10-hexahydro-
5,6,7,8,9,10-hexahydro-11H-cyclohepta[b]quinolin-11-one7,8,9,10-Tetrahydro-6H-cyclohepta(b)quinolin-11-one5,6,7,8,9,10-Hexahydro-11H-cyclohepta(b)quinolin-11-one5,6,7,8,9,10-hexahydrocyclohepta[2,1-b]quinolin-11-oneCDS1_003839CBMicro_017343Cambridge id 5947677Oprea1_028953
Database identifiers
- CAS
5220-39-3- PubChem CID
- 21282
- DTXSID
DTXSID80200243- ChEMBL
CHEMBL1530234- Nikkaji
- J75.310F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
Experimental & physicochemical properties
Solubility>32 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- 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
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Related reactions
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Compound notes
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