2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H30N2O5 — CID 663700

IUPAC2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)Oc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C27H30N2O5/c1-18(2)33-20-10-8-19(9-11-20)24-23-25(30)21-6-3-4-7-22(21)34-26(23)27(31)29(24)13-5-12-28-14-16-32-17-15-28/h3-4,6-11,18,24H,5,12-17H2,1-2H3
InChIKeyXRQVSXRVHPBJET-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.85
Rot. Bonds7

About 2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 663700) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID663700
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCC(C)Oc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
InChIInChI=1S/C27H30N2O5/c1-18(2)33-20-10-8-19(9-11-20)24-23-25(30)21-6-3-4-7-22(21)34-26(23)27(31)29(24)13-5-12-28-14-16-32-17-15-28/h3-4,6-11,18,24H,5,12-17H2,1-2H3
InChIKeyXRQVSXRVHPBJET-UHFFFAOYSA-N
XLogP3.85
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 663700) is 2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)Oc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XRQVSXRVHPBJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-18(2)33-20-10-8-19(9-11-20)24-23-25(30)21-6-3-4-7-22(21)34-26(23)27(31)29(24)13-5-12-28-14-16-32-17-15-28/h3-4,6-11,18,24H,5,12-17H2,1-2H3.
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 462.55 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1-(4-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 663700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).