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

C16H20N2O2 — CID 137259314

IUPACN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCCCC(=O)/N=C1\C=CC2C(CCC)=CC(=O)NC2=C1
InChIInChI=1S/C16H20N2O2/c1-3-5-11-9-16(20)18-14-10-12(7-8-13(11)14)17-15(19)6-4-2/h7-10,13H,3-6H2,1-2H3,(H,18,20)/b17-12+
InChIKeyRGVUPJWJIQOPJQ-SFQUDFHCSA-N
MW272.35 g/mol
LogP2.68
Rot. Bonds4

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

N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide (PubChem CID 137259314) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide.

Molecular Properties

Compound NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide
PubChem CID137259314
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCCCC(=O)/N=C1\C=CC2C(CCC)=CC(=O)NC2=C1
InChIInChI=1S/C16H20N2O2/c1-3-5-11-9-16(20)18-14-10-12(7-8-13(11)14)17-15(19)6-4-2/h7-10,13H,3-6H2,1-2H3,(H,18,20)/b17-12+
InChIKeyRGVUPJWJIQOPJQ-SFQUDFHCSA-N
XLogP2.68
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.68
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)butanamide?
The IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide (CID 137259314) is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide.
What is the SMILES notation for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide?
The canonical SMILES for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide is CCCC(=O)/N=C1\C=CC2C(CCC)=CC(=O)NC2=C1.
What is the InChIKey of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide?
The InChIKey is RGVUPJWJIQOPJQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-5-11-9-16(20)18-14-10-12(7-8-13(11)14)17-15(19)6-4-2/h7-10,13H,3-6H2,1-2H3,(H,18,20)/b17-12+.
What are the key properties of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide?
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.68, 4 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)butanamide is sourced from PubChem (CID 137259314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).