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

C20H26N2O2 — CID 137259326

IUPAC2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)CC3CCCCC3)C=CC12
InChIInChI=1S/C20H26N2O2/c1-2-6-15-12-20(24)22-18-13-16(9-10-17(15)18)21-19(23)11-14-7-4-3-5-8-14/h9-10,12-14,17H,2-8,11H2,1H3,(H,22,24)/b21-16+
InChIKeyJQQNYJHUABDWQG-LTGZKZEYSA-N
MW326.44 g/mol
LogP3.85
Rot. Bonds4

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

2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259326) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259326
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)CC3CCCCC3)C=CC12
InChIInChI=1S/C20H26N2O2/c1-2-6-15-12-20(24)22-18-13-16(9-10-17(15)18)21-19(23)11-14-7-4-3-5-8-14/h9-10,12-14,17H,2-8,11H2,1H3,(H,22,24)/b21-16+
InChIKeyJQQNYJHUABDWQG-LTGZKZEYSA-N
XLogP3.85
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.85
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 2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259326) is 2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide is CCCC1=CC(=O)NC2=C/C(=N/C(=O)CC3CCCCC3)C=CC12.
What is the InChIKey of 2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is JQQNYJHUABDWQG-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-6-15-12-20(24)22-18-13-16(9-10-17(15)18)21-19(23)11-14-7-4-3-5-8-14/h9-10,12-14,17H,2-8,11H2,1H3,(H,22,24)/b21-16+.
What are the key properties of 2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).