ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

C22H27NO5 — CID 3563043

IUPACethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
SMILESCC=C1NC2=C(C(=O)CCC2)C(c2ccc(OC)cc2OC)C1C(=O)OCC
InChIInChI=1S/C22H27NO5/c1-5-15-21(22(25)28-6-2)19(20-16(23-15)8-7-9-17(20)24)14-11-10-13(26-3)12-18(14)27-4/h5,10-12,19,21,23H,6-9H2,1-4H3
InChIKeyWJIPHWOFBWGMHW-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.48
Rot. Bonds5

About ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate (PubChem CID 3563043) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
PubChem CID3563043
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Nameethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
SMILESCC=C1NC2=C(C(=O)CCC2)C(c2ccc(OC)cc2OC)C1C(=O)OCC
InChIInChI=1S/C22H27NO5/c1-5-15-21(22(25)28-6-2)19(20-16(23-15)8-7-9-17(20)24)14-11-10-13(26-3)12-18(14)27-4/h5,10-12,19,21,23H,6-9H2,1-4H3
InChIKeyWJIPHWOFBWGMHW-UHFFFAOYSA-N
XLogP3.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(2,4-dimethoxyphenyl)-2-ethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847639
ethyl 4-(2-methoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 4058936
ethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 5170817
ethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2848187
ethyl 7-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 4068123
ethyl (4S)-2-amino-4-(2,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 1019693
2-phenylethyl (4S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1221016
ethyl (1R,9R,17S)-5-methoxy-15-oxo-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11(16)-tetraene-17-carboxylate
CID 72736690
diethyl (4R,6R,7R)-4-(2,4-dimethoxyphenyl)-7-(3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 100879628
ethyl (4S,7S)-4-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7909714
(4R)-N-(2,6-difluorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1023582
ethyl (4S,7S)-7-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967660

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate (CID 3563043) is ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate is CC=C1NC2=C(C(=O)CCC2)C(c2ccc(OC)cc2OC)C1C(=O)OCC.
What is the InChIKey of ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate?
The InChIKey is WJIPHWOFBWGMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-5-15-21(22(25)28-6-2)19(20-16(23-15)8-7-9-17(20)24)14-11-10-13(26-3)12-18(14)27-4/h5,10-12,19,21,23H,6-9H2,1-4H3.
What are the key properties of ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate?
ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate is sourced from PubChem (CID 3563043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).