2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide

C20H26N2O2 — CID 137259395

IUPAC2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCC1=C(C)C2C=C/C(=N\C(=O)CC3CCCCC3)C=C2NC1=O
InChIInChI=1S/C20H26N2O2/c1-3-16-13(2)17-10-9-15(12-18(17)22-20(16)24)21-19(23)11-14-7-5-4-6-8-14/h9-10,12,14,17H,3-8,11H2,1-2H3,(H,22,24)/b21-15+
InChIKeyHUDNCBYQRDKDKG-RCCKNPSSSA-N
MW326.44 g/mol
LogP3.85
Rot. Bonds3

About 2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide

2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259395) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259395
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCC1=C(C)C2C=C/C(=N\C(=O)CC3CCCCC3)C=C2NC1=O
InChIInChI=1S/C20H26N2O2/c1-3-16-13(2)17-10-9-15(12-18(17)22-20(16)24)21-19(23)11-14-7-5-4-6-8-14/h9-10,12,14,17H,3-8,11H2,1-2H3,(H,22,24)/b21-15+
InChIKeyHUDNCBYQRDKDKG-RCCKNPSSSA-N
XLogP3.85
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259395) is 2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is CCC1=C(C)C2C=C/C(=N\C(=O)CC3CCCCC3)C=C2NC1=O.
What is the InChIKey of 2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is HUDNCBYQRDKDKG-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-16-13(2)17-10-9-15(12-18(17)22-20(16)24)21-19(23)11-14-7-5-4-6-8-14/h9-10,12,14,17H,3-8,11H2,1-2H3,(H,22,24)/b21-15+.
What are the key properties of 2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).