3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide

C21H28N2O2 — CID 137259328

IUPAC3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCCC3)C=CC12
InChIInChI=1S/C21H28N2O2/c1-2-6-16-13-21(25)23-19-14-17(10-11-18(16)19)22-20(24)12-9-15-7-4-3-5-8-15/h10-11,13-15,18H,2-9,12H2,1H3,(H,23,25)/b22-17+
InChIKeyGOPOTXIRFUGPTB-OQKWZONESA-N
MW340.47 g/mol
LogP4.24
Rot. Bonds5

About 3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide

3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259328) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259328
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCCC3)C=CC12
InChIInChI=1S/C21H28N2O2/c1-2-6-16-13-21(25)23-19-14-17(10-11-18(16)19)22-20(24)12-9-15-7-4-3-5-8-15/h10-11,13-15,18H,2-9,12H2,1H3,(H,23,25)/b22-17+
InChIKeyGOPOTXIRFUGPTB-OQKWZONESA-N
XLogP4.24
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259328) is 3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide is CCCC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCCC3)C=CC12.
What is the InChIKey of 3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is GOPOTXIRFUGPTB-OQKWZONESA-N. The full InChI is InChI=1S/C21H28N2O2/c1-2-6-16-13-21(25)23-19-14-17(10-11-18(16)19)22-20(24)12-9-15-7-4-3-5-8-15/h10-11,13-15,18H,2-9,12H2,1H3,(H,23,25)/b22-17+.
What are the key properties of 3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).