1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H28N2O6 — CID 23472278

IUPAC1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cccc(C2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C26H28N2O6/c1-3-33-19-6-4-5-17(15-19)23-22-24(29)20-8-7-18(31-2)16-21(20)34-25(22)26(30)28(23)10-9-27-11-13-32-14-12-27/h4-8,15-16,23H,3,9-14H2,1-2H3
InChIKeyVWTHRJXVYZWCBT-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.08
Rot. Bonds7

About 1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472278) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472278
Molecular FormulaC26H28N2O6
Molecular Weight464.52 g/mol
Exact Mass464.19
IUPAC Name1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1cccc(C2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C26H28N2O6/c1-3-33-19-6-4-5-17(15-19)23-22-24(29)20-8-7-18(31-2)16-21(20)34-25(22)26(30)28(23)10-9-27-11-13-32-14-12-27/h4-8,15-16,23H,3,9-14H2,1-2H3
InChIKeyVWTHRJXVYZWCBT-UHFFFAOYSA-N
XLogP3.08
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472523
(1R)-1-(4-bromophenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835689
(1S)-6-methoxy-1-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835595
methyl 4-[6-methoxy-2-(2-morpholin-4-ylethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 4972332
2-[(1R)-6-methoxy-1-(3-methoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]ethyl-dimethylazanium
CID 7644407
(1R)-6-methoxy-1-(2-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835761
(1S)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7644411
1-(3-butoxyphenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705262
6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472621
(1S)-1-(4-ethoxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28836137
2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709202
(1S)-1-(2,3-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835626

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472278) is 1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1cccc(C2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCN2CCOCC2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is VWTHRJXVYZWCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-3-33-19-6-4-5-17(15-19)23-22-24(29)20-8-7-18(31-2)16-21(20)34-25(22)26(30)28(23)10-9-27-11-13-32-14-12-27/h4-8,15-16,23H,3,9-14H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 464.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).