N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide

C20H20N2O3 — CID 137259570

IUPACN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)C(C)Oc3ccccc3)C=C2NC1=O
InChIInChI=1S/C20H20N2O3/c1-12-13(2)19(23)22-18-11-15(9-10-17(12)18)21-20(24)14(3)25-16-7-5-4-6-8-16/h4-11,14,17H,1-3H3,(H,22,23)/b21-15+
InChIKeyRDAHCPURTIROOQ-RCCKNPSSSA-N
MW336.39 g/mol
LogP2.96
Rot. Bonds3

About N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide (PubChem CID 137259570) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
PubChem CID137259570
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
SMILESCC1=C(C)C2C=C/C(=N\C(=O)C(C)Oc3ccccc3)C=C2NC1=O
InChIInChI=1S/C20H20N2O3/c1-12-13(2)19(23)22-18-11-15(9-10-17(12)18)21-20(24)14(3)25-16-7-5-4-6-8-16/h4-11,14,17H,1-3H3,(H,22,23)/b21-15+
InChIKeyRDAHCPURTIROOQ-RCCKNPSSSA-N
XLogP2.96
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.96
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-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide?
The IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide (CID 137259570) is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide is CC1=C(C)C2C=C/C(=N\C(=O)C(C)Oc3ccccc3)C=C2NC1=O.
What is the InChIKey of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide?
The InChIKey is RDAHCPURTIROOQ-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-13(2)19(23)22-18-11-15(9-10-17(12)18)21-20(24)14(3)25-16-7-5-4-6-8-16/h4-11,14,17H,1-3H3,(H,22,23)/b21-15+.
What are the key properties of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide?
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide has a molecular weight of 336.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide is sourced from PubChem (CID 137259570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).