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

C26H27ClN2O6 — CID 4709295

IUPAC7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC
InChIInChI=1S/C26H27ClN2O6/c1-3-34-20-6-4-16(14-21(20)32-2)23-22-24(30)18-15-17(27)5-7-19(18)35-25(22)26(31)29(23)9-8-28-10-12-33-13-11-28/h4-7,14-15,23H,3,8-13H2,1-2H3
InChIKeyKUGQRNBOFIMYMB-UHFFFAOYSA-N
MW498.96 g/mol
LogP3.73
Rot. Bonds7

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

7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4709295) has the molecular formula C26H27ClN2O6 and a molecular weight of 498.96 g/mol. Its IUPAC name is 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4709295
Molecular FormulaC26H27ClN2O6
Molecular Weight498.96 g/mol
Exact Mass498.16
IUPAC Name7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC
InChIInChI=1S/C26H27ClN2O6/c1-3-34-20-6-4-16(14-21(20)32-2)23-22-24(30)18-15-17(27)5-7-19(18)35-25(22)26(31)29(23)9-8-28-10-12-33-13-11-28/h4-7,14-15,23H,3,8-13H2,1-2H3
InChIKeyKUGQRNBOFIMYMB-UHFFFAOYSA-N
XLogP3.73
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.96
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-chloro-1-(3,4-dimethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709297
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709335
7-chloro-1-(4-hexoxy-3-methoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705186
7-chloro-1-(3-ethoxy-4-prop-2-enoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705178
(1S)-1-(3,4-dimethoxyphenyl)-7-fluoro-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 28835415
1-(3-ethoxy-4-propoxyphenyl)-7-methyl-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709272
7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-[(4-fluorophenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810020
7-fluoro-1-(4-hexoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709499
7-fluoro-1-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4709501
(1S)-7-chloro-1-(3-ethoxy-4-propoxyphenyl)-2-(2-morpholin-4-ium-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2204594
(1S)-7-chloro-1-(3,4-dimethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2242619
7-chloro-1-(3,4-dimethoxyphenyl)-2-(3-morpholin-4-ium-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3356299

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4709295) is 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC.
What is the InChIKey of 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KUGQRNBOFIMYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O6/c1-3-34-20-6-4-16(14-21(20)32-2)23-22-24(30)18-15-17(27)5-7-19(18)35-25(22)26(31)29(23)9-8-28-10-12-33-13-11-28/h4-7,14-15,23H,3,8-13H2,1-2H3.
What are the key properties of 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 498.96 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4709295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).