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

C14H16N2O2 — CID 137259313

IUPACN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(C)=O)C=CC12
InChIInChI=1S/C14H16N2O2/c1-3-4-10-7-14(18)16-13-8-11(15-9(2)17)5-6-12(10)13/h5-8,12H,3-4H2,1-2H3,(H,16,18)/b15-11+
InChIKeyMTDXROIYXBSWIM-RVDMUPIBSA-N
MW244.29 g/mol
LogP1.90
Rot. Bonds2

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

N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259313) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259313
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(C)=O)C=CC12
InChIInChI=1S/C14H16N2O2/c1-3-4-10-7-14(18)16-13-8-11(15-9(2)17)5-6-12(10)13/h5-8,12H,3-4H2,1-2H3,(H,16,18)/b15-11+
InChIKeyMTDXROIYXBSWIM-RVDMUPIBSA-N
XLogP1.90
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methyl-4a,5-dihydroquinolin-6-yl)prop-2-enamide
CID 164030875
2-chloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 136286884
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide
CID 137258008
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259156
2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259157
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pentanamide
CID 137259158
3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259159
3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259160
2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259161
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
CID 137259162
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide
CID 137259163
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
CID 137259164

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259313) is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide is CCCC1=CC(=O)NC2=C/C(=N/C(C)=O)C=CC12.
What is the InChIKey of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is MTDXROIYXBSWIM-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-4-10-7-14(18)16-13-8-11(15-9(2)17)5-6-12(10)13/h5-8,12H,3-4H2,1-2H3,(H,16,18)/b15-11+.
What are the key properties of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide?
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 244.29 g/mol, XLogP of 1.90, 2 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)acetamide is sourced from PubChem (CID 137259313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).