(Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide

C14H14N2O2 — CID 137259169

IUPAC(Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide
SMILESC/C=C\C(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1
InChIInChI=1S/C14H14N2O2/c1-3-4-13(17)15-10-5-6-11-9(2)7-14(18)16-12(11)8-10/h3-8,11H,1-2H3,(H,16,18)/b4-3-,15-10+
InChIKeyDSYBKXXTYPJZLE-LHJSZICDSA-N
MW242.28 g/mol
LogP1.68
Rot. Bonds1

About (Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide

(Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide (PubChem CID 137259169) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide
PubChem CID137259169
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide
SMILESC/C=C\C(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1
InChIInChI=1S/C14H14N2O2/c1-3-4-13(17)15-10-5-6-11-9(2)7-14(18)16-12(11)8-10/h3-8,11H,1-2H3,(H,16,18)/b4-3-,15-10+
InChIKeyDSYBKXXTYPJZLE-LHJSZICDSA-N
XLogP1.68
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide?
The IUPAC name of (Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide (CID 137259169) is (Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide.
What is the SMILES notation for (Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide?
The canonical SMILES for (Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide is C/C=C\C(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1.
What is the InChIKey of (Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide?
The InChIKey is DSYBKXXTYPJZLE-LHJSZICDSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-4-13(17)15-10-5-6-11-9(2)7-14(18)16-12(11)8-10/h3-8,11H,1-2H3,(H,16,18)/b4-3-,15-10+.
What are the key properties of (Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide?
(Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)but-2-enamide is sourced from PubChem (CID 137259169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).