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

C17H16N2O3 — CID 137259345

IUPACN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)c3ccco3)C=CC12
InChIInChI=1S/C17H16N2O3/c1-2-4-11-9-16(20)19-14-10-12(6-7-13(11)14)18-17(21)15-5-3-8-22-15/h3,5-10,13H,2,4H2,1H3,(H,19,20)/b18-12+
InChIKeyTXYKQFXMLHZFCA-LDADJPATSA-N
MW296.33 g/mol
LogP2.79
Rot. Bonds3

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

N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide (PubChem CID 137259345) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide
PubChem CID137259345
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)c3ccco3)C=CC12
InChIInChI=1S/C17H16N2O3/c1-2-4-11-9-16(20)19-14-10-12(6-7-13(11)14)18-17(21)15-5-3-8-22-15/h3,5-10,13H,2,4H2,1H3,(H,19,20)/b18-12+
InChIKeyTXYKQFXMLHZFCA-LDADJPATSA-N
XLogP2.79
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)furan-2-carboxamide?
The IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide (CID 137259345) is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide is CCCC1=CC(=O)NC2=C/C(=N/C(=O)c3ccco3)C=CC12.
What is the InChIKey of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide?
The InChIKey is TXYKQFXMLHZFCA-LDADJPATSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-4-11-9-16(20)19-14-10-12(6-7-13(11)14)18-17(21)15-5-3-8-22-15/h3,5-10,13H,2,4H2,1H3,(H,19,20)/b18-12+.
What are the key properties of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide?
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)furan-2-carboxamide is sourced from PubChem (CID 137259345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).