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

C19H24N2O2 — CID 137259167

IUPAC3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCCC3)C=CC12
InChIInChI=1S/C19H24N2O2/c1-13-11-19(23)21-17-12-15(8-9-16(13)17)20-18(22)10-7-14-5-3-2-4-6-14/h8-9,11-12,14,16H,2-7,10H2,1H3,(H,21,23)/b20-15+
InChIKeyHIUQBJPZILFRNM-HMMYKYKNSA-N
MW312.41 g/mol
LogP3.46
Rot. Bonds3

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

3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259167) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259167
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCCC3)C=CC12
InChIInChI=1S/C19H24N2O2/c1-13-11-19(23)21-17-12-15(8-9-16(13)17)20-18(22)10-7-14-5-3-2-4-6-14/h8-9,11-12,14,16H,2-7,10H2,1H3,(H,21,23)/b20-15+
InChIKeyHIUQBJPZILFRNM-HMMYKYKNSA-N
XLogP3.46
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.46
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-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259167) is 3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is CC1=CC(=O)NC2=C/C(=N/C(=O)CCC3CCCCC3)C=CC12.
What is the InChIKey of 3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is HIUQBJPZILFRNM-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-11-19(23)21-17-12-15(8-9-16(13)17)20-18(22)10-7-14-5-3-2-4-6-14/h8-9,11-12,14,16H,2-7,10H2,1H3,(H,21,23)/b20-15+.
What are the key properties of 3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).