ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate

C27H26N2O6 — CID 6496903

IUPACethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CC(c3ccc(OC)cc3)C2)C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C27H26N2O6/c1-4-34-25(31)23-24(28)35-21-14-16(15-9-11-17(33-3)12-10-15)13-20(30)22(21)27(23)18-7-5-6-8-19(18)29(2)26(27)32/h5-12,16H,4,13-14,28H2,1-3H3
InChIKeyRJUBJWHAROXETJ-UHFFFAOYSA-N
MW474.51 g/mol
LogP3.07
Rot. Bonds4

About ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate

ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate (PubChem CID 6496903) has the molecular formula C27H26N2O6 and a molecular weight of 474.51 g/mol. Its IUPAC name is ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
PubChem CID6496903
Molecular FormulaC27H26N2O6
Molecular Weight474.51 g/mol
Exact Mass474.18
IUPAC Nameethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
SMILESCCOC(=O)C1=C(N)OC2=C(C(=O)CC(c3ccc(OC)cc3)C2)C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C27H26N2O6/c1-4-34-25(31)23-24(28)35-21-14-16(15-9-11-17(33-3)12-10-15)13-20(30)22(21)27(23)18-7-5-6-8-19(18)29(2)26(27)32/h5-12,16H,4,13-14,28H2,1-3H3
InChIKeyRJUBJWHAROXETJ-UHFFFAOYSA-N
XLogP3.07
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (4S,7S)-2-amino-7-(3-chlorophenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 41455781
ethyl (3R,7'R)-2'-amino-7'-(3,4-dimethoxyphenyl)-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
CID 40977878
ethyl (4S,7R)-2-amino-7-(furan-2-yl)-1'-(3-methylbutyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 29111843
5-O'-ethyl 3-O'-methyl (3R)-2'-amino-1,6'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
CID 1215547
ethyl (3R)-5'-acetyl-2'-amino-1,6'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
CID 1215544
ethyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 1418012
ethyl (4S)-2-amino-1'-(2-methylpropyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 41281698
butyl (4R)-2-amino-1'-(2-ethoxy-2-oxoethyl)-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate
CID 51467606
ethyl (3S,7'R)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydropyrano[4,3-b]pyran]-3'-carboxylate
CID 6581829
ethyl 6-amino-3-tert-butyl-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate
CID 23475401
ethyl (4S)-2-amino-1'-[(4-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carboxylate
CID 34313956
ethyl (4R)-2-amino-1'-[(4-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carboxylate
CID 34313952

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate?
The IUPAC name of ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate (CID 6496903) is ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate?
The canonical SMILES for ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate is CCOC(=O)C1=C(N)OC2=C(C(=O)CC(c3ccc(OC)cc3)C2)C12C(=O)N(C)c1ccccc12.
What is the InChIKey of ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate?
The InChIKey is RJUBJWHAROXETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O6/c1-4-34-25(31)23-24(28)35-21-14-16(15-9-11-17(33-3)12-10-15)13-20(30)22(21)27(23)18-7-5-6-8-19(18)29(2)26(27)32/h5-12,16H,4,13-14,28H2,1-3H3.
What are the key properties of ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate?
ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate has a molecular weight of 474.51 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-7-(4-methoxyphenyl)-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carboxylate is sourced from PubChem (CID 6496903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).