2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one

C18H14N6O — CID 68574157

IUPAC2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one
SMILESO=C1CC=CC=CC=C/N=c2\ncnc3c2=C(C=N3)/C=N/C=C/C=N/1
InChIInChI=1S/C18H14N6O/c25-15-7-4-2-1-3-5-9-21-17-16-14(11-19-8-6-10-20-15)12-22-18(16)24-13-23-17/h1-6,8-13H,7H2/b3-1?,4-2?,8-6?,9-5?,19-11+,20-10+,21-17-
InChIKeyATKZOSSHGCXSKL-RTDDEHEYSA-N
MW330.35 g/mol
LogP1.17
Rot. Bonds

About 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one

2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one (PubChem CID 68574157) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one.

Molecular Properties

Compound Name2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one
PubChem CID68574157
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one
SMILESO=C1CC=CC=CC=C/N=c2\ncnc3c2=C(C=N3)/C=N/C=C/C=N/1
InChIInChI=1S/C18H14N6O/c25-15-7-4-2-1-3-5-9-21-17-16-14(11-19-8-6-10-20-15)12-22-18(16)24-13-23-17/h1-6,8-13H,7H2/b3-1?,4-2?,8-6?,9-5?,19-11+,20-10+,21-17-
InChIKeyATKZOSSHGCXSKL-RTDDEHEYSA-N
XLogP1.17
TPSA92.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one?
The IUPAC name of 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one (CID 68574157) is 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one.
What is the SMILES notation for 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one?
The canonical SMILES for 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one is O=C1CC=CC=CC=C/N=c2\ncnc3c2=C(C=N3)/C=N/C=C/C=N/1.
What is the InChIKey of 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one?
The InChIKey is ATKZOSSHGCXSKL-RTDDEHEYSA-N. The full InChI is InChI=1S/C18H14N6O/c25-15-7-4-2-1-3-5-9-21-17-16-14(11-19-8-6-10-20-15)12-22-18(16)24-13-23-17/h1-6,8-13H,7H2/b3-1?,4-2?,8-6?,9-5?,19-11+,20-10+,21-17-.
What are the key properties of 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one?
2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one has a molecular weight of 330.35 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11,15,19,21,23-hexazatricyclo[15.6.1.020,24]tetracosa-1,3,5,7,11,13,15,17(24),18,20,22-undecaen-10-one is sourced from PubChem (CID 68574157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).