(16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene

C22H25FN2O2 — CID 58531940

IUPAC(16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene
SMILESFc1cnc2nc1CC1CCCC(C1)OC/C=C/COc1cccc(c1)C2
InChIInChI=1S/C22H25FN2O2/c23-20-15-24-22-14-17-6-4-8-19(12-17)27-10-2-1-9-26-18-7-3-5-16(11-18)13-21(20)25-22/h1-2,4,6,8,12,15-16,18H,3,5,7,9-11,13-14H2/b2-1+
InChIKeyLHFWRLJRVIORCZ-OWOJBTEDSA-N
MW368.45 g/mol
LogP4.27
Rot. Bonds

About (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene

(16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene (PubChem CID 58531940) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene.

Molecular Properties

Compound Name(16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene
PubChem CID58531940
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name(16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene
SMILESFc1cnc2nc1CC1CCCC(C1)OC/C=C/COc1cccc(c1)C2
InChIInChI=1S/C22H25FN2O2/c23-20-15-24-22-14-17-6-4-8-19(12-17)27-10-2-1-9-26-18-7-3-5-16(11-18)13-21(20)25-22/h1-2,4,6,8,12,15-16,18H,3,5,7,9-11,13-14H2/b2-1+
InChIKeyLHFWRLJRVIORCZ-OWOJBTEDSA-N
XLogP4.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene?
The IUPAC name of (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene (CID 58531940) is (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene.
What is the SMILES notation for (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene?
The canonical SMILES for (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene is Fc1cnc2nc1CC1CCCC(C1)OC/C=C/COc1cccc(c1)C2.
What is the InChIKey of (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene?
The InChIKey is LHFWRLJRVIORCZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C22H25FN2O2/c23-20-15-24-22-14-17-6-4-8-19(12-17)27-10-2-1-9-26-18-7-3-5-16(11-18)13-21(20)25-22/h1-2,4,6,8,12,15-16,18H,3,5,7,9-11,13-14H2/b2-1+.
What are the key properties of (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene?
(16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene has a molecular weight of 368.45 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (16E)-6-fluoro-14,19-dioxa-4,26-diazatetracyclo[18.3.1.13,7.19,13]hexacosa-1(24),3,5,7(26),16,20,22-heptaene is sourced from PubChem (CID 58531940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).