dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate

C20H21NO4 — CID 102279183

IUPACdimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2ccccc2N(C)C1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-21-16-12-8-7-11-15(16)13-20(18(22)24-2,19(23)25-3)17(21)14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3
InChIKeyJFRCBZXKHQMMND-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.75
Rot. Bonds3

About dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate

dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate (PubChem CID 102279183) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate
PubChem CID102279183
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namedimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2ccccc2N(C)C1c1ccccc1
InChIInChI=1S/C20H21NO4/c1-21-16-12-8-7-11-15(16)13-20(18(22)24-2,19(23)25-3)17(21)14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3
InChIKeyJFRCBZXKHQMMND-UHFFFAOYSA-N
XLogP2.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1'',6''-dimethyl-1'',4''-dihydro-2''H-dispiro[cyclohexane-1,2'-[1,3]dioxane-5',3''-quinoline]-4',6'-dione
CID 666291
2',2',4-trimethyl-3,4-dihydro-1H-spiro[benzo[f]quinoline-2,5'-[1,3]dioxane]-4',6'-dione
CID 666313
2,2-Dimethyl-1',2',3',4',4a',6'-hexahydrospiro[[1,3]dioxane-5,5'-pyrido[1,2-a]quinoline]-4,6-dione
CID 666968
1'',2,2,6''-Tetramethylspiro[1,3-dioxane-5,3''-2,4-dihydroquinoline]-4,6-dione
CID 1951437
Diethyl 2-[phenyl-(4-phenylpiperazin-1-yl)methyl]propanedioate
CID 261339
2,2-dimethylspiro[1,3-dioxane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4,6-dione
CID 11335625
2,2,3'-trimethyl-2',3',4',4a'-tetrahydro-1'H,6'H-spiro[1,3-dioxane-5,5'-pyrido[1,2-a]quinoline]-4,6-dione
CID 17038235
Methyl 1,2,3,4-tetrahydro-3-quinolinecarboxylate
CID 283526
Ethyl 3-methyl-1,2,3,4-tetrahydro-3-quinolinecarboxylate
CID 45496478
Dimethyl 1-(4-methylphenyl)sulfonyl-2-(2-oxopropyl)-2,4-dihydroquinoline-3,3-dicarboxylate
CID 53384213
6'-fluoro-2,2-dimethylspiro[1,3-dioxane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4,6-dione
CID 17464805
Dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate
CID 51051192

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate (CID 102279183) is dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2ccccc2N(C)C1c1ccccc1.
What is the InChIKey of dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate?
The InChIKey is JFRCBZXKHQMMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-21-16-12-8-7-11-15(16)13-20(18(22)24-2,19(23)25-3)17(21)14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3.
What are the key properties of dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate?
dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate has a molecular weight of 339.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-2-phenyl-2,4-dihydroquinoline-3,3-dicarboxylate is sourced from PubChem (CID 102279183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).