3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide

C20H20N2O3 — CID 137259257

IUPAC3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCOc1ccc(CCC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1
InChIInChI=1S/C20H20N2O3/c1-13-11-20(24)22-18-12-15(6-9-17(13)18)21-19(23)10-5-14-3-7-16(25-2)8-4-14/h3-4,6-9,11-12,17H,5,10H2,1-2H3,(H,22,24)/b21-15+
InChIKeyFAUDNTUWNGLRHN-RCCKNPSSSA-N
MW336.39 g/mol
LogP2.74
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide

3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (PubChem CID 137259257) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
PubChem CID137259257
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
SMILESCOc1ccc(CCC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1
InChIInChI=1S/C20H20N2O3/c1-13-11-20(24)22-18-12-15(6-9-17(13)18)21-19(23)10-5-14-3-7-16(25-2)8-4-14/h3-4,6-9,11-12,17H,5,10H2,1-2H3,(H,22,24)/b21-15+
InChIKeyFAUDNTUWNGLRHN-RCCKNPSSSA-N
XLogP2.74
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.74
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 3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide (CID 137259257) is 3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is COc1ccc(CCC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
The InChIKey is FAUDNTUWNGLRHN-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-11-20(24)22-18-12-15(6-9-17(13)18)21-19(23)10-5-14-3-7-16(25-2)8-4-14/h3-4,6-9,11-12,17H,5,10H2,1-2H3,(H,22,24)/b21-15+.
What are the key properties of 3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide?
3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide has a molecular weight of 336.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide is sourced from PubChem (CID 137259257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).