10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene

C18H16N2 — CID 13491943

IUPAC10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene
SMILESc1ccc2c(c1)CNC1Cc3c[nH]c4cccc(c34)C21
InChIInChI=1S/C18H16N2/c1-2-5-13-11(4-1)9-20-16-8-12-10-19-15-7-3-6-14(17(12)15)18(13)16/h1-7,10,16,18-20H,8-9H2
InChIKeyQJLYNIKEQOTHRK-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.33
Rot. Bonds

About 10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene

10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene (PubChem CID 13491943) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene.

Molecular Properties

Compound Name10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene
PubChem CID13491943
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene
SMILESc1ccc2c(c1)CNC1Cc3c[nH]c4cccc(c34)C21
InChIInChI=1S/C18H16N2/c1-2-5-13-11(4-1)9-20-16-8-12-10-19-15-7-3-6-14(17(12)15)18(13)16/h1-7,10,16,18-20H,8-9H2
InChIKeyQJLYNIKEQOTHRK-UHFFFAOYSA-N
XLogP3.33
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene?
The IUPAC name of 10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene (CID 13491943) is 10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene.
What is the SMILES notation for 10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene?
The canonical SMILES for 10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene is c1ccc2c(c1)CNC1Cc3c[nH]c4cccc(c34)C21.
What is the InChIKey of 10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene?
The InChIKey is QJLYNIKEQOTHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-5-13-11(4-1)9-20-16-8-12-10-19-15-7-3-6-14(17(12)15)18(13)16/h1-7,10,16,18-20H,8-9H2.
What are the key properties of 10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene?
10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene has a molecular weight of 260.34 g/mol, XLogP of 3.33, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,15-diazapentacyclo[11.6.1.02,11.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaene is sourced from PubChem (CID 13491943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).