1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H30N2O6 — CID 4709409

IUPAC1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN2CCOCC2)ccc1O
InChIInChI=1S/C27H30N2O6/c1-4-34-22-15-18(5-6-20(22)30)24-23-25(31)19-13-16(2)17(3)14-21(19)35-26(23)27(32)29(24)8-7-28-9-11-33-12-10-28/h5-6,13-15,24,30H,4,7-12H2,1-3H3
InChIKeyGATJDVWHFUMEEI-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.39
Rot. Bonds6

About 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4709409) has the molecular formula C27H30N2O6 and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4709409
Molecular FormulaC27H30N2O6
Molecular Weight478.55 g/mol
Exact Mass478.21
IUPAC Name1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN2CCOCC2)ccc1O
InChIInChI=1S/C27H30N2O6/c1-4-34-22-15-18(5-6-20(22)30)24-23-25(31)19-13-16(2)17(3)14-21(19)35-26(23)27(32)29(24)8-7-28-9-11-33-12-10-28/h5-6,13-15,24,30H,4,7-12H2,1-3H3
InChIKeyGATJDVWHFUMEEI-UHFFFAOYSA-N
XLogP3.39
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709464
2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4710981
1-(3-ethoxy-4-hydroxyphenyl)-7-fluoro-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705287
7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709295
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709272
1-(4-hexoxy-3-methoxyphenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705275
6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705253
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143691
(1S)-1-(4-hydroxy-3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27309153
(1S)-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40722140
(1R)-1-(3,4-diethoxyphenyl)-2-[3-(dimethylamino)propyl]-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 34116886
(1S)-1-(4-ethoxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28836137

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4709409) is 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCN2CCOCC2)ccc1O.
What is the InChIKey of 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is GATJDVWHFUMEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O6/c1-4-34-22-15-18(5-6-20(22)30)24-23-25(31)19-13-16(2)17(3)14-21(19)35-26(23)27(32)29(24)8-7-28-9-11-33-12-10-28/h5-6,13-15,24,30H,4,7-12H2,1-3H3.
What are the key properties of 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 478.55 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-hydroxyphenyl)-6,7-dimethyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4709409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).