8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione

C26H15FN2O4 — CID 58371604

IUPAC8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione
SMILESO=C1CC=Cc2oc(=O)c3c(c21)c1c2occc2c(F)cc1n3Cc1ccc2c(c1)CN=C2
InChIInChI=1S/C26H15FN2O4/c27-17-9-18-21(25-16(17)6-7-32-25)23-22-19(30)2-1-3-20(22)33-26(31)24(23)29(18)12-13-4-5-14-10-28-11-15(14)8-13/h1,3-10H,2,11-12H2
InChIKeyUEGCTIBCUWZHHG-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.21
Rot. Bonds2

About 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione

8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione (PubChem CID 58371604) has the molecular formula C26H15FN2O4 and a molecular weight of 438.41 g/mol. Its IUPAC name is 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione.

Molecular Properties

Compound Name8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione
PubChem CID58371604
Molecular FormulaC26H15FN2O4
Molecular Weight438.41 g/mol
Exact Mass438.10
IUPAC Name8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione
SMILESO=C1CC=Cc2oc(=O)c3c(c21)c1c2occc2c(F)cc1n3Cc1ccc2c(c1)CN=C2
InChIInChI=1S/C26H15FN2O4/c27-17-9-18-21(25-16(17)6-7-32-25)23-22-19(30)2-1-3-20(22)33-26(31)24(23)29(18)12-13-4-5-14-10-28-11-15(14)8-13/h1,3-10H,2,11-12H2
InChIKeyUEGCTIBCUWZHHG-UHFFFAOYSA-N
XLogP5.21
TPSA77.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione?
The IUPAC name of 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione (CID 58371604) is 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione.
What is the SMILES notation for 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione?
The canonical SMILES for 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione is O=C1CC=Cc2oc(=O)c3c(c21)c1c2occc2c(F)cc1n3Cc1ccc2c(c1)CN=C2.
What is the InChIKey of 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione?
The InChIKey is UEGCTIBCUWZHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15FN2O4/c27-17-9-18-21(25-16(17)6-7-32-25)23-22-19(30)2-1-3-20(22)33-26(31)24(23)29(18)12-13-4-5-14-10-28-11-15(14)8-13/h1,3-10H,2,11-12H2.
What are the key properties of 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione?
8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione has a molecular weight of 438.41 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-11-(3H-isoindol-5-ylmethyl)-4,14-dioxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2,5,7,9,15(20),16-heptaene-13,19-dione is sourced from PubChem (CID 58371604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).