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

C25H25FN2O4 — CID 15991363

IUPAC1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(CCCN1CCOCC1)C3=O
InChIInChI=1S/C25H25FN2O4/c1-16-7-8-20-18(15-16)23(29)21-22(17-5-2-3-6-19(17)26)28(25(30)24(21)32-20)10-4-9-27-11-13-31-14-12-27/h2-3,5-8,15,22H,4,9-14H2,1H3
InChIKeyPLRCKJGXWLDDCF-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.51
Rot. Bonds5

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

1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 15991363) has the molecular formula C25H25FN2O4 and a molecular weight of 436.48 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID15991363
Molecular FormulaC25H25FN2O4
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC Name1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(CCCN1CCOCC1)C3=O
InChIInChI=1S/C25H25FN2O4/c1-16-7-8-20-18(15-16)23(29)21-22(17-5-2-3-6-19(17)26)28(25(30)24(21)32-20)10-4-9-27-11-13-31-14-12-27/h2-3,5-8,15,22H,4,9-14H2,1H3
InChIKeyPLRCKJGXWLDDCF-UHFFFAOYSA-N
XLogP3.51
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 15991363) is 1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccccc1F)N(CCCN1CCOCC1)C3=O.
What is the InChIKey of 1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is PLRCKJGXWLDDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O4/c1-16-7-8-20-18(15-16)23(29)21-22(17-5-2-3-6-19(17)26)28(25(30)24(21)32-20)10-4-9-27-11-13-31-14-12-27/h2-3,5-8,15,22H,4,9-14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 436.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 15991363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).