7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H27FN2O5 — CID 5178250

IUPAC7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1
InChIInChI=1S/C27H27FN2O5/c1-2-13-34-20-6-3-5-18(16-20)24-23-25(31)21-17-19(28)7-8-22(21)35-26(23)27(32)30(24)10-4-9-29-11-14-33-15-12-29/h2-3,5-8,16-17,24H,1,4,9-15H2
InChIKeyOISSTHKSSLVDRT-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.76
Rot. Bonds8

About 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 5178250) has the molecular formula C27H27FN2O5 and a molecular weight of 478.52 g/mol. Its IUPAC name is 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID5178250
Molecular FormulaC27H27FN2O5
Molecular Weight478.52 g/mol
Exact Mass478.19
IUPAC Name7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESC=CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1
InChIInChI=1S/C27H27FN2O5/c1-2-13-34-20-6-3-5-18(16-20)24-23-25(31)21-17-19(28)7-8-22(21)35-26(23)27(32)30(24)10-4-9-29-11-14-33-15-12-29/h2-3,5-8,16-17,24H,1,4,9-15H2
InChIKeyOISSTHKSSLVDRT-UHFFFAOYSA-N
XLogP3.76
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 5178250) is 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1.
What is the InChIKey of 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OISSTHKSSLVDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O5/c1-2-13-34-20-6-3-5-18(16-20)24-23-25(31)21-17-19(28)7-8-22(21)35-26(23)27(32)30(24)10-4-9-29-11-14-33-15-12-29/h2-3,5-8,16-17,24H,1,4,9-15H2.
What are the key properties of 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 478.52 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 5178250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).