7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione

C20H9FN2O4 — CID 12985520

IUPAC7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
SMILESO=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3ccc(F)cc3c12
InChIInChI=1S/C20H9FN2O4/c21-8-5-6-10-9(7-8)13-14-15(20(25)23-19(14)24)17-18(16(13)22-10)27-12-4-2-1-3-11(12)26-17/h1-7,22H,(H,23,24,25)
InChIKeyKUILUHUEFPHZJR-UHFFFAOYSA-N
MW360.30 g/mol
LogP4.15
Rot. Bonds

About 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione

7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione (PubChem CID 12985520) has the molecular formula C20H9FN2O4 and a molecular weight of 360.30 g/mol. Its IUPAC name is 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione.

Molecular Properties

Compound Name7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
PubChem CID12985520
Molecular FormulaC20H9FN2O4
Molecular Weight360.30 g/mol
Exact Mass360.05
IUPAC Name7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione
SMILESO=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3ccc(F)cc3c12
InChIInChI=1S/C20H9FN2O4/c21-8-5-6-10-9(7-8)13-14-15(20(25)23-19(14)24)17-18(16(13)22-10)27-12-4-2-1-3-11(12)26-17/h1-7,22H,(H,23,24,25)
InChIKeyKUILUHUEFPHZJR-UHFFFAOYSA-N
XLogP4.15
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione?
The IUPAC name of 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione (CID 12985520) is 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione.
What is the SMILES notation for 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione?
The canonical SMILES for 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione is O=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3ccc(F)cc3c12.
What is the InChIKey of 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione?
The InChIKey is KUILUHUEFPHZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9FN2O4/c21-8-5-6-10-9(7-8)13-14-15(20(25)23-19(14)24)17-18(16(13)22-10)27-12-4-2-1-3-11(12)26-17/h1-7,22H,(H,23,24,25).
What are the key properties of 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione?
7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione has a molecular weight of 360.30 g/mol, XLogP of 4.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosa-1,4(9),5,7,10,15,18,20,22-nonaene-12,14-dione is sourced from PubChem (CID 12985520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).