7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione

C20H9FN2O3 — CID 165437402

IUPAC7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
SMILESO=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1oc3ccc(F)cc3c21
InChIInChI=1S/C20H9FN2O3/c21-8-5-6-12-10(7-8)14-16-15(19(24)23-20(16)25)13-9-3-1-2-4-11(9)22-17(13)18(14)26-12/h1-7,22H,(H,23,24,25)
InChIKeySCYLYTGUNATGKF-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.24
Rot. Bonds

About 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione

7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione (PubChem CID 165437402) has the molecular formula C20H9FN2O3 and a molecular weight of 344.30 g/mol. Its IUPAC name is 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione.

Molecular Properties

Compound Name7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
PubChem CID165437402
Molecular FormulaC20H9FN2O3
Molecular Weight344.30 g/mol
Exact Mass344.06
IUPAC Name7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
SMILESO=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1oc3ccc(F)cc3c21
InChIInChI=1S/C20H9FN2O3/c21-8-5-6-12-10(7-8)14-16-15(19(24)23-20(16)25)13-9-3-1-2-4-11(9)22-17(13)18(14)26-12/h1-7,22H,(H,23,24,25)
InChIKeySCYLYTGUNATGKF-UHFFFAOYSA-N
XLogP4.24
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione?
The IUPAC name of 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione (CID 165437402) is 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione.
What is the SMILES notation for 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione?
The canonical SMILES for 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione is O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1oc3ccc(F)cc3c21.
What is the InChIKey of 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione?
The InChIKey is SCYLYTGUNATGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9FN2O3/c21-8-5-6-12-10(7-8)14-16-15(19(24)23-20(16)25)13-9-3-1-2-4-11(9)22-17(13)18(14)26-12/h1-7,22H,(H,23,24,25).
What are the key properties of 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione?
7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione has a molecular weight of 344.30 g/mol, XLogP of 4.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione is sourced from PubChem (CID 165437402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).