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

C24H22FN3O6 — CID 4705279

IUPAC7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1CCCN1CCOCC1
InChIInChI=1S/C24H22FN3O6/c25-16-5-6-19-18(14-16)22(29)20-21(15-3-1-4-17(13-15)28(31)32)27(24(30)23(20)34-19)8-2-7-26-9-11-33-12-10-26/h1,3-6,13-14,21H,2,7-12H2
InChIKeyMJBMPOMPBUWBMX-UHFFFAOYSA-N
MW467.45 g/mol
LogP3.11
Rot. Bonds6

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

7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705279) has the molecular formula C24H22FN3O6 and a molecular weight of 467.45 g/mol. Its IUPAC name is 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID4705279
Molecular FormulaC24H22FN3O6
Molecular Weight467.45 g/mol
Exact Mass467.15
IUPAC Name7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESO=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1CCCN1CCOCC1
InChIInChI=1S/C24H22FN3O6/c25-16-5-6-19-18(14-16)22(29)20-21(15-3-1-4-17(13-15)28(31)32)27(24(30)23(20)34-19)8-2-7-26-9-11-33-12-10-26/h1,3-6,13-14,21H,2,7-12H2
InChIKeyMJBMPOMPBUWBMX-UHFFFAOYSA-N
XLogP3.11
TPSA106.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705279) is 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is O=C1c2oc3ccc(F)cc3c(=O)c2C(c2cccc([N+](=O)[O-])c2)N1CCCN1CCOCC1.
What is the InChIKey of 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MJBMPOMPBUWBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O6/c25-16-5-6-19-18(14-16)22(29)20-21(15-3-1-4-17(13-15)28(31)32)27(24(30)23(20)34-19)8-2-7-26-9-11-33-12-10-26/h1,3-6,13-14,21H,2,7-12H2.
What are the key properties of 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 467.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(3-morpholin-4-ylpropyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).