2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide

C18H18N2O3 — CID 108505557

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide
SMILESCc1cc(O)ccc1NC(=O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-12-11-14(21)8-9-15(12)19-17(22)18(23)20-10-4-6-13-5-2-3-7-16(13)20/h2-3,5,7-9,11,21H,4,6,10H2,1H3,(H,19,22)
InChIKeyBQCFZIXDNDCVMK-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.62
Rot. Bonds1

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide (PubChem CID 108505557) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide
PubChem CID108505557
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide
SMILESCc1cc(O)ccc1NC(=O)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H18N2O3/c1-12-11-14(21)8-9-15(12)19-17(22)18(23)20-10-4-6-13-5-2-3-7-16(13)20/h2-3,5,7-9,11,21H,4,6,10H2,1H3,(H,19,22)
InChIKeyBQCFZIXDNDCVMK-UHFFFAOYSA-N
XLogP2.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647
N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505760
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505775
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108505690
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-4-nitrophenyl)-2-oxoacetamide
CID 108505574
2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108521834
N-(2-butan-2-ylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505764
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-(4-phenoxyphenyl)acetamide
CID 108505566
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-2-pyridinyl)-2-oxoacetamide
CID 108505780
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylsulfanylphenyl)-2-oxoacetamide
CID 108505619

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide (CID 108505557) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide is Cc1cc(O)ccc1NC(=O)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide?
The InChIKey is BQCFZIXDNDCVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-11-14(21)8-9-15(12)19-17(22)18(23)20-10-4-6-13-5-2-3-7-16(13)20/h2-3,5,7-9,11,21H,4,6,10H2,1H3,(H,19,22).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide has a molecular weight of 310.35 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-hydroxy-2-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 108505557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).