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

C28H32N2O6 — CID 23472523

IUPAC6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1cccc(C2c3c(oc4cc(OCC)ccc4c3=O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C28H32N2O6/c1-3-14-35-20-7-5-6-19(17-20)25-24-26(31)22-9-8-21(34-4-2)18-23(22)36-27(24)28(32)30(25)11-10-29-12-15-33-16-13-29/h5-9,17-18,25H,3-4,10-16H2,1-2H3
InChIKeyDYRSZSXTXFKSBZ-UHFFFAOYSA-N
MW492.57 g/mol
LogP3.86
Rot. Bonds9

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

6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472523) has the molecular formula C28H32N2O6 and a molecular weight of 492.57 g/mol. Its IUPAC name is 6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472523
Molecular FormulaC28H32N2O6
Molecular Weight492.57 g/mol
Exact Mass492.23
IUPAC Name6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1cccc(C2c3c(oc4cc(OCC)ccc4c3=O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C28H32N2O6/c1-3-14-35-20-7-5-6-19(17-20)25-24-26(31)22-9-8-21(34-4-2)18-23(22)36-27(24)28(32)30(25)11-10-29-12-15-33-16-13-29/h5-9,17-18,25H,3-4,10-16H2,1-2H3
InChIKeyDYRSZSXTXFKSBZ-UHFFFAOYSA-N
XLogP3.86
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472278
1-(3-butoxyphenyl)-6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705262
1-(4-butoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709206
(1S)-1-(3-propoxyphenyl)-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27315548
(1S)-2-butyl-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27316024
6-ethoxy-2-(3-morpholin-4-ylpropyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472621
7-chloro-2-(3-morpholin-4-ylpropyl)-1-(3-pentoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705174
(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-(4-butoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39865713
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709272
1-(3-ethoxyphenyl)-2-(2-methoxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3794287

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472523) is 6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1cccc(C2c3c(oc4cc(OCC)ccc4c3=O)C(=O)N2CCN2CCOCC2)c1.
What is the InChIKey of 6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is DYRSZSXTXFKSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O6/c1-3-14-35-20-7-5-6-19(17-20)25-24-26(31)22-9-8-21(34-4-2)18-23(22)36-27(24)28(32)30(25)11-10-29-12-15-33-16-13-29/h5-9,17-18,25H,3-4,10-16H2,1-2H3.
What are the key properties of 6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 492.57 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).