8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene

C17H14F2N6 — CID 163302601

IUPAC8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
SMILESCC1CCN2C(c3c(F)cccc3F)=Nc3cn[nH]c3-c3cnn1c32
InChIInChI=1S/C17H14F2N6/c1-9-5-6-24-16(14-11(18)3-2-4-12(14)19)22-13-8-20-23-15(13)10-7-21-25(9)17(10)24/h2-4,7-9H,5-6H2,1H3,(H,20,23)
InChIKeyMFNSIDMUQLWYBS-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.41
Rot. Bonds1

About 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene

8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene (PubChem CID 163302601) has the molecular formula C17H14F2N6 and a molecular weight of 340.34 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
PubChem CID163302601
Molecular FormulaC17H14F2N6
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
SMILESCC1CCN2C(c3c(F)cccc3F)=Nc3cn[nH]c3-c3cnn1c32
InChIInChI=1S/C17H14F2N6/c1-9-5-6-24-16(14-11(18)3-2-4-12(14)19)22-13-8-20-23-15(13)10-7-21-25(9)17(10)24/h2-4,7-9H,5-6H2,1H3,(H,20,23)
InChIKeyMFNSIDMUQLWYBS-UHFFFAOYSA-N
XLogP3.41
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
The IUPAC name of 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene (CID 163302601) is 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene.
What is the SMILES notation for 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
The canonical SMILES for 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene is CC1CCN2C(c3c(F)cccc3F)=Nc3cn[nH]c3-c3cnn1c32.
What is the InChIKey of 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
The InChIKey is MFNSIDMUQLWYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N6/c1-9-5-6-24-16(14-11(18)3-2-4-12(14)19)22-13-8-20-23-15(13)10-7-21-25(9)17(10)24/h2-4,7-9H,5-6H2,1H3,(H,20,23).
What are the key properties of 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene has a molecular weight of 340.34 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-12-methyl-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene is sourced from PubChem (CID 163302601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).