9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene

C19H14FN3O2 — CID 18183177

IUPAC9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene
SMILESCc1cnc2n1N=C(c1ccc(F)cc1)c1cc3c(cc1C2)OCO3
InChIInChI=1S/C19H14FN3O2/c1-11-9-21-18-7-13-6-16-17(25-10-24-16)8-15(13)19(22-23(11)18)12-2-4-14(20)5-3-12/h2-6,8-9H,7,10H2,1H3
InChIKeyGEWDSQSJPRVFQT-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.26
Rot. Bonds1

About 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene

9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene (PubChem CID 18183177) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene.

Molecular Properties

Compound Name9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene
PubChem CID18183177
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene
SMILESCc1cnc2n1N=C(c1ccc(F)cc1)c1cc3c(cc1C2)OCO3
InChIInChI=1S/C19H14FN3O2/c1-11-9-21-18-7-13-6-16-17(25-10-24-16)8-15(13)19(22-23(11)18)12-2-4-14(20)5-3-12/h2-6,8-9H,7,10H2,1H3
InChIKeyGEWDSQSJPRVFQT-UHFFFAOYSA-N
XLogP3.26
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene?
The IUPAC name of 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene (CID 18183177) is 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene.
What is the SMILES notation for 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene?
The canonical SMILES for 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene is Cc1cnc2n1N=C(c1ccc(F)cc1)c1cc3c(cc1C2)OCO3.
What is the InChIKey of 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene?
The InChIKey is GEWDSQSJPRVFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-11-9-21-18-7-13-6-16-17(25-10-24-16)8-15(13)19(22-23(11)18)12-2-4-14(20)5-3-12/h2-6,8-9H,7,10H2,1H3.
What are the key properties of 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene?
9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene has a molecular weight of 335.34 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-6-methyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene is sourced from PubChem (CID 18183177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).