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

C14H16N2O2 — CID 137259157

IUPAC2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)C)C=CC12
InChIInChI=1S/C14H16N2O2/c1-8(2)14(18)15-10-4-5-11-9(3)6-13(17)16-12(11)7-10/h4-8,11H,1-3H3,(H,16,17)/b15-10+
InChIKeyUCZSSOYIJMNTJY-XNTDXEJSSA-N
MW244.29 g/mol
LogP1.76
Rot. Bonds1

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

2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259157) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259157
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)C)C=CC12
InChIInChI=1S/C14H16N2O2/c1-8(2)14(18)15-10-4-5-11-9(3)6-13(17)16-12(11)7-10/h4-8,11H,1-3H3,(H,16,17)/b15-10+
InChIKeyUCZSSOYIJMNTJY-XNTDXEJSSA-N
XLogP1.76
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.76
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 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259157) is 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is CC1=CC(=O)NC2=C/C(=N/C(=O)C(C)C)C=CC12.
What is the InChIKey of 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is UCZSSOYIJMNTJY-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8(2)14(18)15-10-4-5-11-9(3)6-13(17)16-12(11)7-10/h4-8,11H,1-3H3,(H,16,17)/b15-10+.
What are the key properties of 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 244.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).