4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene

C17H14N2 — CID 10332163

IUPAC4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene
SMILESCn1cc2c(c1)-c1ccccc1Nc1ccccc1-2
InChIInChI=1S/C17H14N2/c1-19-10-14-12-6-2-4-8-16(12)18-17-9-5-3-7-13(17)15(14)11-19/h2-11,18H,1H3
InChIKeyMMWNJKMPKQAUDE-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.42
Rot. Bonds

About 4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene

4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene (PubChem CID 10332163) has the molecular formula C17H14N2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene.

Molecular Properties

Compound Name4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene
PubChem CID10332163
Molecular FormulaC17H14N2
Molecular Weight246.31 g/mol
Exact Mass246.12
IUPAC Name4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene
SMILESCn1cc2c(c1)-c1ccccc1Nc1ccccc1-2
InChIInChI=1S/C17H14N2/c1-19-10-14-12-6-2-4-8-16(12)18-17-9-5-3-7-13(17)15(14)11-19/h2-11,18H,1H3
InChIKeyMMWNJKMPKQAUDE-UHFFFAOYSA-N
XLogP4.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene?
The IUPAC name of 4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene (CID 10332163) is 4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene.
What is the SMILES notation for 4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene?
The canonical SMILES for 4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene is Cn1cc2c(c1)-c1ccccc1Nc1ccccc1-2.
What is the InChIKey of 4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene?
The InChIKey is MMWNJKMPKQAUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2/c1-19-10-14-12-6-2-4-8-16(12)18-17-9-5-3-7-13(17)15(14)11-19/h2-11,18H,1H3.
What are the key properties of 4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene?
4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene has a molecular weight of 246.31 g/mol, XLogP of 4.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene is sourced from PubChem (CID 10332163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).