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

C29H26N2O5 — CID 4709202

IUPAC2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1CCN1CCOCC1
InChIInChI=1S/C29H26N2O5/c32-27-23-11-4-5-12-24(23)36-28-25(27)26(31(29(28)33)14-13-30-15-17-34-18-16-30)20-7-6-10-22(19-20)35-21-8-2-1-3-9-21/h1-12,19,26H,13-18H2
InChIKeyJTJYGEIVTILQBG-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.46
Rot. Bonds6

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

2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4709202) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4709202
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC Name2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccccc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1CCN1CCOCC1
InChIInChI=1S/C29H26N2O5/c32-27-23-11-4-5-12-24(23)36-28-25(27)26(31(29(28)33)14-13-30-15-17-34-18-16-30)20-7-6-10-22(19-20)35-21-8-2-1-3-9-21/h1-12,19,26H,13-18H2
InChIKeyJTJYGEIVTILQBG-UHFFFAOYSA-N
XLogP4.46
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

2-(3-morpholin-4-ylpropyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705097
2-pentyl-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113842
(1R)-1-(3-hydroxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143765
(1S)-1-(3-phenoxyphenyl)-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 27314851
(1S)-7-fluoro-2-(2-morpholin-4-ylethyl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196591
2-(2-morpholin-4-ylethyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709207
(1R)-7-fluoro-1-(3-fluorophenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835363
1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472278
1-(4-butoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709206
(1R)-1-(3-methoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2013531
6-ethoxy-2-(2-morpholin-4-ylethyl)-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472523
1-(4-methylsulfanylphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709229

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4709202) is 2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccccc3c(=O)c2C(c2cccc(Oc3ccccc3)c2)N1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is JTJYGEIVTILQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/c32-27-23-11-4-5-12-24(23)36-28-25(27)26(31(29(28)33)14-13-30-15-17-34-18-16-30)20-7-6-10-22(19-20)35-21-8-2-1-3-9-21/h1-12,19,26H,13-18H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 482.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4709202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).