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

C15H18N2O2 — CID 137259315

IUPACN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)CC)C=CC12
InChIInChI=1S/C15H18N2O2/c1-3-5-10-8-15(19)17-13-9-11(6-7-12(10)13)16-14(18)4-2/h6-9,12H,3-5H2,1-2H3,(H,17,19)/b16-11+
InChIKeyQOAPRZQNNVLLBZ-LFIBNONCSA-N
MW258.32 g/mol
LogP2.29
Rot. Bonds3

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

N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259315) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259315
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)CC)C=CC12
InChIInChI=1S/C15H18N2O2/c1-3-5-10-8-15(19)17-13-9-11(6-7-12(10)13)16-14(18)4-2/h6-9,12H,3-5H2,1-2H3,(H,17,19)/b16-11+
InChIKeyQOAPRZQNNVLLBZ-LFIBNONCSA-N
XLogP2.29
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.29
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 N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259315) is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide is CCCC1=CC(=O)NC2=C/C(=N/C(=O)CC)C=CC12.
What is the InChIKey of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is QOAPRZQNNVLLBZ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-5-10-8-15(19)17-13-9-11(6-7-12(10)13)16-14(18)4-2/h6-9,12H,3-5H2,1-2H3,(H,17,19)/b16-11+.
What are the key properties of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide?
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).