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

C20H28N2O2 — CID 137259322

IUPACN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C(CCC)CCC)C=CC12
InChIInChI=1S/C20H28N2O2/c1-4-7-14(8-5-2)20(24)21-16-10-11-17-15(9-6-3)12-19(23)22-18(17)13-16/h10-14,17H,4-9H2,1-3H3,(H,22,23)/b21-16+
InChIKeyORNRBEQXYZOUJN-LTGZKZEYSA-N
MW328.46 g/mol
LogP4.10
Rot. Bonds7

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

N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide (PubChem CID 137259322) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
PubChem CID137259322
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C(CCC)CCC)C=CC12
InChIInChI=1S/C20H28N2O2/c1-4-7-14(8-5-2)20(24)21-16-10-11-17-15(9-6-3)12-19(23)22-18(17)13-16/h10-14,17H,4-9H2,1-3H3,(H,22,23)/b21-16+
InChIKeyORNRBEQXYZOUJN-LTGZKZEYSA-N
XLogP4.10
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.10
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)-2-propylpentanamide?
The IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide (CID 137259322) is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide.
What is the SMILES notation for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide?
The canonical SMILES for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide is CCCC1=CC(=O)NC2=C/C(=N/C(=O)C(CCC)CCC)C=CC12.
What is the InChIKey of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide?
The InChIKey is ORNRBEQXYZOUJN-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-7-14(8-5-2)20(24)21-16-10-11-17-15(9-6-3)12-19(23)22-18(17)13-16/h10-14,17H,4-9H2,1-3H3,(H,22,23)/b21-16+.
What are the key properties of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide?
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide has a molecular weight of 328.46 g/mol, XLogP of 4.10, 7 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)-2-propylpentanamide is sourced from PubChem (CID 137259322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).