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

C19H18N2O3 — CID 137259224

IUPACN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)Oc3ccccc3)C=CC12
InChIInChI=1S/C19H18N2O3/c1-12-10-18(22)21-17-11-14(8-9-16(12)17)20-19(23)13(2)24-15-6-4-3-5-7-15/h3-11,13,16H,1-2H3,(H,21,22)/b20-14+
InChIKeyLNUUWWXNTMVZFP-XSFVSMFZSA-N
MW322.36 g/mol
LogP2.57
Rot. Bonds3

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

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide (PubChem CID 137259224) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
PubChem CID137259224
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C(C)Oc3ccccc3)C=CC12
InChIInChI=1S/C19H18N2O3/c1-12-10-18(22)21-17-11-14(8-9-16(12)17)20-19(23)13(2)24-15-6-4-3-5-7-15/h3-11,13,16H,1-2H3,(H,21,22)/b20-14+
InChIKeyLNUUWWXNTMVZFP-XSFVSMFZSA-N
XLogP2.57
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.57
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-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide?
The IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide (CID 137259224) is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide?
The canonical SMILES for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide is CC1=CC(=O)NC2=C/C(=N/C(=O)C(C)Oc3ccccc3)C=CC12.
What is the InChIKey of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide?
The InChIKey is LNUUWWXNTMVZFP-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-10-18(22)21-17-11-14(8-9-16(12)17)20-19(23)13(2)24-15-6-4-3-5-7-15/h3-11,13,16H,1-2H3,(H,21,22)/b20-14+.
What are the key properties of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide?
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide has a molecular weight of 322.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide is sourced from PubChem (CID 137259224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).