N-(2-quinolinyl)cyclohexanecarboxamide
Basic information
- CAS
700347-12-2- Standard SMILES
O=C(Nc1ccc2ccccc2n1)C1CCCCC1- InChIKey
DHFLYUQFYGRMEU-UHFFFAOYSA-N- Molecular formula
- C16H18N2O
- Average molar mass
- 254.33 g/mol
Overview
N-(2-quinolinyl)cyclohexanecarboxamide is a member of quinolines.
Names & identifiers
- Preferred name
- N-(2-quinolinyl)cyclohexanecarboxamide
- IUPAC
- N-quinolin-2-ylcyclohexanecarboxamide
- English name
- Cyclohexanecarboxamide, N-2-quinolinyl- (9CI)
- Molecular formula
- C16H18N2O
- Molecular weight
- 254.33
Names & synonyms
700347-12-2N-(Quinolin-2-yl)cyclohexanecarboxamideN-(2-quinolinyl)cyclohexanecarboxamideN-quinolin-2-ylcyclohexanecarboxamideCyclohexanecarboxamide, N-2-quinolinyl- (9CI)Maybridge3_002318Oprea1_194876MLS000860427CHEMBL1349007SCHEMBL28409561CHEBI:117265HMS1437J08
Show more names
N-2-QuinolinylcyclohexanecarboxamideCyclohexanecarboxamide, N-2-quinolinyl-
HMS2777N13AKOS008853374CCG-239582IDI1_013705SMR000458511Q27203901
Database identifiers
- CAS
700347-12-2- ChEMBL
CHEMBL1349007- ChEBI
CHEBI:117265
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
Solubility26.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 492.1 · 492.1±18.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 12.55 · 12.55±0.20(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: N-(2-quinolinyl)cyclohexanecarboxamide is a member of quinolines.
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Compound notes
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