15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine

C28H20FN3O2 — CID 44634532

IUPAC15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
SMILES[H]/N=c1/c2c(ncn1-c1cccc(F)c1)Oc1ccc3ccccc3c1C2c1cccc(OC)c1
InChIInChI=1S/C28H20FN3O2/c1-33-21-10-4-7-18(14-21)24-25-22-11-3-2-6-17(22)12-13-23(25)34-28-26(24)27(30)32(16-31-28)20-9-5-8-19(29)15-20/h2-16,24,30H,1H3/b30-27-
InChIKeyHMBZXVLGWRYJBC-IKPAITLHSA-N
MW449.49 g/mol
LogP5.94
Rot. Bonds3

About 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine

15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine (PubChem CID 44634532) has the molecular formula C28H20FN3O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine.

Molecular Properties

Compound Name15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
PubChem CID44634532
Molecular FormulaC28H20FN3O2
Molecular Weight449.49 g/mol
Exact Mass449.15
IUPAC Name15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
SMILES[H]/N=c1/c2c(ncn1-c1cccc(F)c1)Oc1ccc3ccccc3c1C2c1cccc(OC)c1
InChIInChI=1S/C28H20FN3O2/c1-33-21-10-4-7-18(14-21)24-25-22-11-3-2-6-17(22)12-13-23(25)34-28-26(24)27(30)32(16-31-28)20-9-5-8-19(29)15-20/h2-16,24,30H,1H3/b30-27-
InChIKeyHMBZXVLGWRYJBC-IKPAITLHSA-N
XLogP5.94
TPSA60.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.49
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The IUPAC name of 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine (CID 44634532) is 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine.
What is the SMILES notation for 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The canonical SMILES for 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine is [H]/N=c1/c2c(ncn1-c1cccc(F)c1)Oc1ccc3ccccc3c1C2c1cccc(OC)c1.
What is the InChIKey of 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The InChIKey is HMBZXVLGWRYJBC-IKPAITLHSA-N. The full InChI is InChI=1S/C28H20FN3O2/c1-33-21-10-4-7-18(14-21)24-25-22-11-3-2-6-17(22)12-13-23(25)34-28-26(24)27(30)32(16-31-28)20-9-5-8-19(29)15-20/h2-16,24,30H,1H3/b30-27-.
What are the key properties of 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine has a molecular weight of 449.49 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3-fluorophenyl)-18-(3-methoxyphenyl)-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine is sourced from PubChem (CID 44634532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).