21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene

C20H19N3O — CID 23245436

IUPAC21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene
SMILESc1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc(o1)Cc1ccc([nH]1)C2
InChIInChI=1S/C20H19N3O/c1-2-14-10-16-4-6-18(23-16)12-20-8-7-19(24-20)11-17-5-3-15(22-17)9-13(1)21-14/h1-8,21-23H,9-12H2
InChIKeyVZPCYMSEEFOION-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.94
Rot. Bonds

About 21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene

21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene (PubChem CID 23245436) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene.

Molecular Properties

Compound Name21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene
PubChem CID23245436
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene
SMILESc1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc(o1)Cc1ccc([nH]1)C2
InChIInChI=1S/C20H19N3O/c1-2-14-10-16-4-6-18(23-16)12-20-8-7-19(24-20)11-17-5-3-15(22-17)9-13(1)21-14/h1-8,21-23H,9-12H2
InChIKeyVZPCYMSEEFOION-UHFFFAOYSA-N
XLogP3.94
TPSA60.51 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene?
The IUPAC name of 21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene (CID 23245436) is 21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene.
What is the SMILES notation for 21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene?
The canonical SMILES for 21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene is c1cc2[nH]c1Cc1ccc([nH]1)Cc1ccc(o1)Cc1ccc([nH]1)C2.
What is the InChIKey of 21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene?
The InChIKey is VZPCYMSEEFOION-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-14-10-16-4-6-18(23-16)12-20-8-7-19(24-20)11-17-5-3-15(22-17)9-13(1)21-14/h1-8,21-23H,9-12H2.
What are the key properties of 21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene?
21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene has a molecular weight of 317.39 g/mol, XLogP of 3.94, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 21-oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene is sourced from PubChem (CID 23245436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).