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

C18H22N2O2 — CID 137259165

IUPAC2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CC3CCCCC3)C=CC12
InChIInChI=1S/C18H22N2O2/c1-12-9-17(21)20-16-11-14(7-8-15(12)16)19-18(22)10-13-5-3-2-4-6-13/h7-9,11,13,15H,2-6,10H2,1H3,(H,20,21)/b19-14+
InChIKeyLCDFDSCTDGJGOM-XMHGGMMESA-N
MW298.39 g/mol
LogP3.07
Rot. Bonds2

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

2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259165) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259165
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CC3CCCCC3)C=CC12
InChIInChI=1S/C18H22N2O2/c1-12-9-17(21)20-16-11-14(7-8-15(12)16)19-18(22)10-13-5-3-2-4-6-13/h7-9,11,13,15H,2-6,10H2,1H3,(H,20,21)/b19-14+
InChIKeyLCDFDSCTDGJGOM-XMHGGMMESA-N
XLogP3.07
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.07
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-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259165) is 2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is CC1=CC(=O)NC2=C/C(=N/C(=O)CC3CCCCC3)C=CC12.
What is the InChIKey of 2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is LCDFDSCTDGJGOM-XMHGGMMESA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-9-17(21)20-16-11-14(7-8-15(12)16)19-18(22)10-13-5-3-2-4-6-13/h7-9,11,13,15H,2-6,10H2,1H3,(H,20,21)/b19-14+.
What are the key properties of 2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).