2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene

C20H24N2 — CID 118642189

IUPAC2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene
SMILESc1cnc2c(c1)CCc1cc3c(nc1CC2)CCCCCC3
InChIInChI=1S/C20H24N2/c1-2-4-8-19-16(6-3-1)14-17-10-9-15-7-5-13-21-18(15)11-12-20(17)22-19/h5,7,13-14H,1-4,6,8-12H2
InChIKeyWUVNBHFYYSJHTH-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.02
Rot. Bonds

About 2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene

2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene (PubChem CID 118642189) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene.

Molecular Properties

Compound Name2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene
PubChem CID118642189
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene
SMILESc1cnc2c(c1)CCc1cc3c(nc1CC2)CCCCCC3
InChIInChI=1S/C20H24N2/c1-2-4-8-19-16(6-3-1)14-17-10-9-15-7-5-13-21-18(15)11-12-20(17)22-19/h5,7,13-14H,1-4,6,8-12H2
InChIKeyWUVNBHFYYSJHTH-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene?
The IUPAC name of 2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene (CID 118642189) is 2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene.
What is the SMILES notation for 2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene?
The canonical SMILES for 2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene is c1cnc2c(c1)CCc1cc3c(nc1CC2)CCCCCC3.
What is the InChIKey of 2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene?
The InChIKey is WUVNBHFYYSJHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-2-4-8-19-16(6-3-1)14-17-10-9-15-7-5-13-21-18(15)11-12-20(17)22-19/h5,7,13-14H,1-4,6,8-12H2.
What are the key properties of 2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene?
2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene has a molecular weight of 292.43 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene is sourced from PubChem (CID 118642189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).