ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate

C19H21NO4 — CID 54705920

IUPACethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate
SMILESCCOC(=O)C1CCCc2c(O)c(-c3ccccc3)c(=O)n(C)c21
InChIInChI=1S/C19H21NO4/c1-3-24-19(23)14-11-7-10-13-16(14)20(2)18(22)15(17(13)21)12-8-5-4-6-9-12/h4-6,8-9,14,21H,3,7,10-11H2,1-2H3
InChIKeyYOUIZIPMRMMWPH-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.74
Rot. Bonds3

About ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate

ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate (PubChem CID 54705920) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate
PubChem CID54705920
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Nameethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate
SMILESCCOC(=O)C1CCCc2c(O)c(-c3ccccc3)c(=O)n(C)c21
InChIInChI=1S/C19H21NO4/c1-3-24-19(23)14-11-7-10-13-16(14)20(2)18(22)15(17(13)21)12-8-5-4-6-9-12/h4-6,8-9,14,21H,3,7,10-11H2,1-2H3
InChIKeyYOUIZIPMRMMWPH-UHFFFAOYSA-N
XLogP2.74
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate with MolForge

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Related Compounds

Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propyl-1,6-dihydro-3-pyridinecarboxylate
CID 54694325
Ethyl 5-acetyl-1,2-dimethyl-6-oxo-4-phenylpyridine-3-carboxylate
CID 5309566
Ethyl 4-(4-fluorophenyl)-5-(hydroxymethyl)-1-methyl-6-oxo-2-propan-2-ylpyridine-3-carboxylate
CID 14726081
2-benzyl-1-hydroxy-5-phenyl-9,10-dihydro-8H-pyrano[2,3-g]indolizine-3,6-dione
CID 54691184
2-(2-Benzyl-2,4-dihydroxy-5-oxo-3-phenylpyrrol-1-yl)ethyl 2-phenylacetate
CID 134853287
2-(2,3-dihydro-6-methyl-4-oxo-5-phenyl-4H-1,3-oxazin-3-yl)-1-(3-hydroxymethyl-cyclopent-2-enyl)-2-methylpropan-1-ol
CID 22118258
Ethyl 4-hydroxy-6-methyl-2-oxo-5-(3-phenyl-propyl)-1,2dihydro-pyridine-3-carboxylic acid ethyl ester
CID 69640128
2-methoxyethyl 2-[3-[(E)-3-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)-3-oxoprop-1-enyl]phenyl]acetate
CID 137159139
5-(4-Methylphenyl)-1-(oxan-4-ylmethyl)-6-oxopyridine-3-carboxylic acid
CID 139329637
butyl 3-[6-(hydroxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
CID 140407009
2-[4,5-Bis(ethenyl)-1-methyl-3-(4-methylphenyl)-6-oxo-2-pyridinyl]octanoic acid
CID 144499489
6-(12-Hydroxydodecyl)-3-phenylpyrano[3,2-c]pyridine-2,7-dione
CID 162356794

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate (CID 54705920) is ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate is CCOC(=O)C1CCCc2c(O)c(-c3ccccc3)c(=O)n(C)c21.
What is the InChIKey of ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate?
The InChIKey is YOUIZIPMRMMWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-24-19(23)14-11-7-10-13-16(14)20(2)18(22)15(17(13)21)12-8-5-4-6-9-12/h4-6,8-9,14,21H,3,7,10-11H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate?
ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-methyl-2-oxo-3-phenyl-5,6,7,8-tetrahydroquinoline-8-carboxylate is sourced from PubChem (CID 54705920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).