4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene

C16H16N2 — CID 143076291

IUPAC4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
SMILESCc1ccc2c(c1)N1Cc3ccccc3N(C2)C1
InChIInChI=1S/C16H16N2/c1-12-6-7-14-10-17-11-18(16(14)8-12)9-13-4-2-3-5-15(13)17/h2-8H,9-11H2,1H3
InChIKeyVINLFNBAMYOFAE-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.29
Rot. Bonds

About 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene

4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene (PubChem CID 143076291) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene.

Molecular Properties

Compound Name4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
PubChem CID143076291
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene
SMILESCc1ccc2c(c1)N1Cc3ccccc3N(C2)C1
InChIInChI=1S/C16H16N2/c1-12-6-7-14-10-17-11-18(16(14)8-12)9-13-4-2-3-5-15(13)17/h2-8H,9-11H2,1H3
InChIKeyVINLFNBAMYOFAE-UHFFFAOYSA-N
XLogP3.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene?
The IUPAC name of 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene (CID 143076291) is 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene.
What is the SMILES notation for 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene?
The canonical SMILES for 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene is Cc1ccc2c(c1)N1Cc3ccccc3N(C2)C1.
What is the InChIKey of 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene?
The InChIKey is VINLFNBAMYOFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-6-7-14-10-17-11-18(16(14)8-12)9-13-4-2-3-5-15(13)17/h2-8H,9-11H2,1H3.
What are the key properties of 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene?
4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene has a molecular weight of 236.32 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaene is sourced from PubChem (CID 143076291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).