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

C19H15N3O2 — CID 11347663

IUPAC6-methyl-9-phenyl-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(c1ccccc1)c1cc3c(cc1C2)OCO3
InChIInChI=1S/C19H15N3O2/c1-12-10-20-18-8-14-7-16-17(24-11-23-16)9-15(14)19(21-22(12)18)13-5-3-2-4-6-13/h2-7,9-10H,8,11H2,1H3
InChIKeyQWKPBPPJPZEELH-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.13
Rot. Bonds1

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

6-methyl-9-phenyl-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 11347663) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-methyl-9-phenyl-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 Name6-methyl-9-phenyl-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 CID11347663
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name6-methyl-9-phenyl-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(c1ccccc1)c1cc3c(cc1C2)OCO3
InChIInChI=1S/C19H15N3O2/c1-12-10-20-18-8-14-7-16-17(24-11-23-16)9-15(14)19(21-22(12)18)13-5-3-2-4-6-13/h2-7,9-10H,8,11H2,1H3
InChIKeyQWKPBPPJPZEELH-UHFFFAOYSA-N
XLogP3.13
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-9-phenyl-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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9-(4-Chlorophenyl)-5,6-dimethyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene
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9-Phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene
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9-(4-Fluorophenyl)-5,6-dimethyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-phenyl-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 6-methyl-9-phenyl-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 11347663) is 6-methyl-9-phenyl-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 6-methyl-9-phenyl-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 6-methyl-9-phenyl-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(c1ccccc1)c1cc3c(cc1C2)OCO3.
What is the InChIKey of 6-methyl-9-phenyl-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 QWKPBPPJPZEELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-10-20-18-8-14-7-16-17(24-11-23-16)9-15(14)19(21-22(12)18)13-5-3-2-4-6-13/h2-7,9-10H,8,11H2,1H3.
What are the key properties of 6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaene?
6-methyl-9-phenyl-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 317.35 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-phenyl-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 11347663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).