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

C29H34N2O5 — CID 5013601

IUPAC6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C29H34N2O5/c1-4-14-35-22-8-6-21(7-9-22)26-25-27(32)23-17-19(2)20(3)18-24(23)36-28(25)29(33)31(26)11-5-10-30-12-15-34-16-13-30/h6-9,17-18,26H,4-5,10-16H2,1-3H3
InChIKeyOLWYVNNSBYTRDY-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.47
Rot. Bonds8

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

6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 5013601) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID5013601
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC Name6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C29H34N2O5/c1-4-14-35-22-8-6-21(7-9-22)26-25-27(32)23-17-19(2)20(3)18-24(23)36-28(25)29(33)31(26)11-5-10-30-12-15-34-16-13-30/h6-9,17-18,26H,4-5,10-16H2,1-3H3
InChIKeyOLWYVNNSBYTRDY-UHFFFAOYSA-N
XLogP4.47
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 5013601) is 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1.
What is the InChIKey of 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OLWYVNNSBYTRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-4-14-35-22-8-6-21(7-9-22)26-25-27(32)23-17-19(2)20(3)18-24(23)36-28(25)29(33)31(26)11-5-10-30-12-15-34-16-13-30/h6-9,17-18,26H,4-5,10-16H2,1-3H3.
What are the key properties of 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 490.60 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(3-morpholin-4-ylpropyl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 5013601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).