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

C16H20N2O2 — CID 137259316

IUPAC2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)C)C=CC12
InChIInChI=1S/C16H20N2O2/c1-4-5-11-8-15(19)18-14-9-12(6-7-13(11)14)17-16(20)10(2)3/h6-10,13H,4-5H2,1-3H3,(H,18,19)/b17-12+
InChIKeyWPFWUIDLEITSKT-SFQUDFHCSA-N
MW272.35 g/mol
LogP2.54
Rot. Bonds3

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

2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259316) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259316
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)C)C=CC12
InChIInChI=1S/C16H20N2O2/c1-4-5-11-8-15(19)18-14-9-12(6-7-13(11)14)17-16(20)10(2)3/h6-10,13H,4-5H2,1-3H3,(H,18,19)/b17-12+
InChIKeyWPFWUIDLEITSKT-SFQUDFHCSA-N
XLogP2.54
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.54
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-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259316) is 2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide is CCCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)C)C=CC12.
What is the InChIKey of 2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is WPFWUIDLEITSKT-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-5-11-8-15(19)18-14-9-12(6-7-13(11)14)17-16(20)10(2)3/h6-10,13H,4-5H2,1-3H3,(H,18,19)/b17-12+.
What are the key properties of 2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).