4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene

C20H16N2 — CID 118723069

IUPAC4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene
SMILESCN1Cc2c(cn3c2ccc2ccccc23)-c2ccccc21
InChIInChI=1S/C20H16N2/c1-21-12-17-16(15-7-3-5-9-19(15)21)13-22-18-8-4-2-6-14(18)10-11-20(17)22/h2-11,13H,12H2,1H3
InChIKeyIFNCZXWVUDCFKU-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.71
Rot. Bonds

About 4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene

4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene (PubChem CID 118723069) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene.

Molecular Properties

Compound Name4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene
PubChem CID118723069
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene
SMILESCN1Cc2c(cn3c2ccc2ccccc23)-c2ccccc21
InChIInChI=1S/C20H16N2/c1-21-12-17-16(15-7-3-5-9-19(15)21)13-22-18-8-4-2-6-14(18)10-11-20(17)22/h2-11,13H,12H2,1H3
InChIKeyIFNCZXWVUDCFKU-UHFFFAOYSA-N
XLogP4.71
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene?
The IUPAC name of 4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene (CID 118723069) is 4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene.
What is the SMILES notation for 4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene?
The canonical SMILES for 4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene is CN1Cc2c(cn3c2ccc2ccccc23)-c2ccccc21.
What is the InChIKey of 4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene?
The InChIKey is IFNCZXWVUDCFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-21-12-17-16(15-7-3-5-9-19(15)21)13-22-18-8-4-2-6-14(18)10-11-20(17)22/h2-11,13H,12H2,1H3.
What are the key properties of 4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene?
4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene has a molecular weight of 284.36 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,13-diazapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1,5,7,9,11,14,16,18,20-nonaene is sourced from PubChem (CID 118723069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).