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

C16H20N2O2 — CID 137259161

IUPAC2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCCC(CC)C(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1
InChIInChI=1S/C16H20N2O2/c1-4-11(5-2)16(20)17-12-6-7-13-10(3)8-15(19)18-14(13)9-12/h6-9,11,13H,4-5H2,1-3H3,(H,18,19)/b17-12+
InChIKeyHPAZAWMOHSHPJK-SFQUDFHCSA-N
MW272.35 g/mol
LogP2.54
Rot. Bonds3

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

2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide (PubChem CID 137259161) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
PubChem CID137259161
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
SMILESCCC(CC)C(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1
InChIInChI=1S/C16H20N2O2/c1-4-11(5-2)16(20)17-12-6-7-13-10(3)8-15(19)18-14(13)9-12/h6-9,11,13H,4-5H2,1-3H3,(H,18,19)/b17-12+
InChIKeyHPAZAWMOHSHPJK-SFQUDFHCSA-N
XLogP2.54
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.54
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
6-Amino-3-ethyl-4-methyl-2(1H)-quinolinone
CID 133661178
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide
CID 137258008
1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide
CID 137259155
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
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 2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The IUPAC name of 2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide (CID 137259161) is 2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide.
What is the SMILES notation for 2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The canonical SMILES for 2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide is CCC(CC)C(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1.
What is the InChIKey of 2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
The InChIKey is HPAZAWMOHSHPJK-SFQUDFHCSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-11(5-2)16(20)17-12-6-7-13-10(3)8-15(19)18-14(13)9-12/h6-9,11,13H,4-5H2,1-3H3,(H,18,19)/b17-12+.
What are the key properties of 2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide?
2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide is sourced from PubChem (CID 137259161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).