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

C16H11ClF2N6 — CID 163302777

IUPAC8-(4-chloro-2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
SMILESFc1cc(Cl)cc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CCC3
InChIInChI=1S/C16H11ClF2N6/c17-8-4-10(18)13(11(19)5-8)15-22-12-7-20-23-14(12)9-6-21-25-3-1-2-24(15)16(9)25/h4-7H,1-3H2,(H,20,23)
InChIKeyGUIXNXUNISHOIU-UHFFFAOYSA-N
MW360.76 g/mol
LogP3.51
Rot. Bonds1

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

8-(4-chloro-2,6-difluorophenyl)-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 163302777) has the molecular formula C16H11ClF2N6 and a molecular weight of 360.76 g/mol. Its IUPAC name is 8-(4-chloro-2,6-difluorophenyl)-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-(4-chloro-2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
PubChem CID163302777
Molecular FormulaC16H11ClF2N6
Molecular Weight360.76 g/mol
Exact Mass360.07
IUPAC Name8-(4-chloro-2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene
SMILESFc1cc(Cl)cc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CCC3
InChIInChI=1S/C16H11ClF2N6/c17-8-4-10(18)13(11(19)5-8)15-22-12-7-20-23-14(12)9-6-21-25-3-1-2-24(15)16(9)25/h4-7H,1-3H2,(H,20,23)
InChIKeyGUIXNXUNISHOIU-UHFFFAOYSA-N
XLogP3.51
TPSA62.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(4-chloro-2,6-difluorophenyl)-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-(4-chloro-2,6-difluorophenyl)-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-(4-chloro-2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene (CID 163302777) is 8-(4-chloro-2,6-difluorophenyl)-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-(4-chloro-2,6-difluorophenyl)-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-(4-chloro-2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene is Fc1cc(Cl)cc(F)c1C1=Nc2cn[nH]c2-c2cnn3c2N1CCC3.
What is the InChIKey of 8-(4-chloro-2,6-difluorophenyl)-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 GUIXNXUNISHOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF2N6/c17-8-4-10(18)13(11(19)5-8)15-22-12-7-20-23-14(12)9-6-21-25-3-1-2-24(15)16(9)25/h4-7H,1-3H2,(H,20,23).
What are the key properties of 8-(4-chloro-2,6-difluorophenyl)-3,4,7,9,13,14-hexazatetracyclo[7.6.1.02,6.013,16]hexadeca-1(16),2(6),4,7,14-pentaene?
8-(4-chloro-2,6-difluorophenyl)-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 360.76 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-2,6-difluorophenyl)-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 163302777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).