ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate

C20H21NO6 — CID 29102064

IUPACethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(OC)c(OC)c1)CC2=O
InChIInChI=1S/C20H21NO6/c1-4-27-20(24)14-10-13-15(21-19(14)23)7-12(8-16(13)22)11-5-6-17(25-2)18(9-11)26-3/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyQPWDGVYPLJFOTC-GFCCVEGCSA-N
MW371.39 g/mol
LogP2.48
Rot. Bonds5

About ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate

ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 29102064) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID29102064
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Nameethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(OC)c(OC)c1)CC2=O
InChIInChI=1S/C20H21NO6/c1-4-27-20(24)14-10-13-15(21-19(14)23)7-12(8-16(13)22)11-5-6-17(25-2)18(9-11)26-3/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyQPWDGVYPLJFOTC-GFCCVEGCSA-N
XLogP2.48
TPSA94.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17228885
(7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073913
ethyl (6S)-6-(3,4-dimethoxyphenyl)-4-oxo-3-propyl-1,5,6,7-tetrahydroindole-2-carboxylate
CID 2236351
(7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 42582251
methyl 2,5-dioxo-7-(2,3,4-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 71668708
methyl 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17036302
butyl 6-(3,4-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylate
CID 17380016
(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51902313
N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 22426392
ethyl (4S,7R)-7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1124971
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
ethyl (4S,7R)-4-(4-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 994572

Frequently Asked Questions

What is the IUPAC name of ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (CID 29102064) is ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is CCOC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(OC)c(OC)c1)CC2=O.
What is the InChIKey of ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is QPWDGVYPLJFOTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21NO6/c1-4-27-20(24)14-10-13-15(21-19(14)23)7-12(8-16(13)22)11-5-6-17(25-2)18(9-11)26-3/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 29102064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).