ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

C25H27NO6 — CID 4748058

IUPACethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
SMILESC=C1NC2=C(C(=O)CCC2)C(c2ccc(COc3ccc(OC)cc3)o2)C1C(=O)OCC
InChIInChI=1S/C25H27NO6/c1-4-30-25(28)22-15(2)26-19-6-5-7-20(27)23(19)24(22)21-13-12-18(32-21)14-31-17-10-8-16(29-3)9-11-17/h8-13,22,24,26H,2,4-7,14H2,1,3H3
InChIKeyCGBVSIFCHVAONM-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.25
Rot. Bonds7

About ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate (PubChem CID 4748058) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
PubChem CID4748058
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Nameethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
SMILESC=C1NC2=C(C(=O)CCC2)C(c2ccc(COc3ccc(OC)cc3)o2)C1C(=O)OCC
InChIInChI=1S/C25H27NO6/c1-4-30-25(28)22-15(2)26-19-6-5-7-20(27)23(19)24(22)21-13-12-18(32-21)14-31-17-10-8-16(29-3)9-11-17/h8-13,22,24,26H,2,4-7,14H2,1,3H3
InChIKeyCGBVSIFCHVAONM-UHFFFAOYSA-N
XLogP4.25
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-(2-methoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 4058936
4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-7,7-dimethyl-2-methylidene-5-oxo-N-pyridin-2-yl-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide
CID 4748743
ethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 5170817
ethyl 4-(3-iodophenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 3627478
ethyl 4-(5-methylfuran-2-yl)-2-methylidene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 5103099
ethyl 4-(4-methoxyphenyl)-2-methylidene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 5103097
methyl (4S)-4-[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 51552436
cyclohexyl 4-(2,5-dimethoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 3487949
ethyl 4-(2,4-dimethoxyphenyl)-2-ethylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 3563043
benzyl 4-(2,3-dimethoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate
CID 3314774
ethyl (4R)-2-amino-4-[5-[(4-bromophenoxy)methyl]furan-2-yl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 51389683
ethyl 4-[5-[(2-bromophenoxy)methyl]furan-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 4600356

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate (CID 4748058) is ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate is C=C1NC2=C(C(=O)CCC2)C(c2ccc(COc3ccc(OC)cc3)o2)C1C(=O)OCC.
What is the InChIKey of ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate?
The InChIKey is CGBVSIFCHVAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-4-30-25(28)22-15(2)26-19-6-5-7-20(27)23(19)24(22)21-13-12-18(32-21)14-31-17-10-8-16(29-3)9-11-17/h8-13,22,24,26H,2,4-7,14H2,1,3H3.
What are the key properties of ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate?
ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate has a molecular weight of 437.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate is sourced from PubChem (CID 4748058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).