15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene

C14H9ClN4 — CID 118726131

IUPAC15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene
SMILESCc1cc(Cl)n2nc3nc4ccccc4cc3c2n1
InChIInChI=1S/C14H9ClN4/c1-8-6-12(15)19-14(16-8)10-7-9-4-2-3-5-11(9)17-13(10)18-19/h2-7H,1H3
InChIKeyWJSORSXXYUOSNJ-UHFFFAOYSA-N
MW268.71 g/mol
LogP3.39
Rot. Bonds

About 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene

15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene (PubChem CID 118726131) has the molecular formula C14H9ClN4 and a molecular weight of 268.71 g/mol. Its IUPAC name is 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene
PubChem CID118726131
Molecular FormulaC14H9ClN4
Molecular Weight268.71 g/mol
Exact Mass268.05
IUPAC Name15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene
SMILESCc1cc(Cl)n2nc3nc4ccccc4cc3c2n1
InChIInChI=1S/C14H9ClN4/c1-8-6-12(15)19-14(16-8)10-7-9-4-2-3-5-11(9)17-13(10)18-19/h2-7H,1H3
InChIKeyWJSORSXXYUOSNJ-UHFFFAOYSA-N
XLogP3.39
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene?
The IUPAC name of 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene (CID 118726131) is 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene is Cc1cc(Cl)n2nc3nc4ccccc4cc3c2n1.
What is the InChIKey of 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene?
The InChIKey is WJSORSXXYUOSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4/c1-8-6-12(15)19-14(16-8)10-7-9-4-2-3-5-11(9)17-13(10)18-19/h2-7H,1H3.
What are the key properties of 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene?
15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene has a molecular weight of 268.71 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-13-methyl-2,12,16,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 118726131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).