7-fluoro-13-methyl-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

C21H11FN2O4 — CID 10339356

IUPAC7-fluoro-13-methyl-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
SMILESCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O
InChIInChI=1S/C21H11FN2O4/c1-24-20(25)15-14-10-8-9(22)6-7-11(10)23-17(14)19-18(16(15)21(24)26)27-12-4-2-3-5-13(12)28-19/h2-8,23H,1H3
InChIKeyFKGFNRQGWUGKCE-UHFFFAOYSA-N
MW374.33 g/mol
LogP4.16
Rot. Bonds

About 7-fluoro-13-methyl-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-13-methyl-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 10339356) has the molecular formula C21H11FN2O4 and a molecular weight of 374.33 g/mol. Its IUPAC name is 7-fluoro-13-methyl-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-13-methyl-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 CID10339356
Molecular FormulaC21H11FN2O4
Molecular Weight374.33 g/mol
Exact Mass374.07
IUPAC Name7-fluoro-13-methyl-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
SMILESCn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O
InChIInChI=1S/C21H11FN2O4/c1-24-20(25)15-14-10-8-9(22)6-7-11(10)23-17(14)19-18(16(15)21(24)26)27-12-4-2-3-5-13(12)28-19/h2-8,23H,1H3
InChIKeyFKGFNRQGWUGKCE-UHFFFAOYSA-N
XLogP4.16
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-fluoro-13-methyl-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-13-methyl-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-13-methyl-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 10339356) is 7-fluoro-13-methyl-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-13-methyl-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-13-methyl-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 Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(F)cc4c3c2c1=O.
What is the InChIKey of 7-fluoro-13-methyl-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 FKGFNRQGWUGKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11FN2O4/c1-24-20(25)15-14-10-8-9(22)6-7-11(10)23-17(14)19-18(16(15)21(24)26)27-12-4-2-3-5-13(12)28-19/h2-8,23H,1H3.
What are the key properties of 7-fluoro-13-methyl-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-13-methyl-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 374.33 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-13-methyl-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 10339356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).