7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H26FNO5 — CID 3633531

IUPAC7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)c1
InChIInChI=1S/C29H26FNO5/c1-3-15-35-22-6-4-5-19(16-22)26-25-27(32)23-17-20(30)9-12-24(23)36-28(25)29(33)31(26)14-13-18-7-10-21(34-2)11-8-18/h4-12,16-17,26H,3,13-15H2,1-2H3
InChIKeyXCFVQTFANCVWPR-UHFFFAOYSA-N
MW487.53 g/mol
LogP5.52
Rot. Bonds8

About 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3633531) has the molecular formula C29H26FNO5 and a molecular weight of 487.53 g/mol. Its IUPAC name is 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID3633531
Molecular FormulaC29H26FNO5
Molecular Weight487.53 g/mol
Exact Mass487.18
IUPAC Name7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)c1
InChIInChI=1S/C29H26FNO5/c1-3-15-35-22-6-4-5-19(16-22)26-25-27(32)23-17-20(30)9-12-24(23)36-28(25)29(33)31(26)14-13-18-7-10-21(34-2)11-8-18/h4-12,16-17,26H,3,13-15H2,1-2H3
InChIKeyXCFVQTFANCVWPR-UHFFFAOYSA-N
XLogP5.52
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3633531) is 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)c1.
What is the InChIKey of 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XCFVQTFANCVWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FNO5/c1-3-15-35-22-6-4-5-19(16-22)26-25-27(32)23-17-20(30)9-12-24(23)36-28(25)29(33)31(26)14-13-18-7-10-21(34-2)11-8-18/h4-12,16-17,26H,3,13-15H2,1-2H3.
What are the key properties of 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 487.53 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1-(3-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3633531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).