21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene

C22H21N3O3 — CID 73321225

IUPAC21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene
SMILESCOc1ccc2cc1OCC=CCOCc1cccc(c1)Nc1nccc-2n1
InChIInChI=1S/C22H21N3O3/c1-26-20-8-7-17-14-21(20)28-12-3-2-11-27-15-16-5-4-6-18(13-16)24-22-23-10-9-19(17)25-22/h2-10,13-14H,11-12,15H2,1H3,(H,23,24,25)
InChIKeyUYYLETGYRNKXNR-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.36
Rot. Bonds1

About 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene

21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene (PubChem CID 73321225) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene.

Molecular Properties

Compound Name21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene
PubChem CID73321225
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene
SMILESCOc1ccc2cc1OCC=CCOCc1cccc(c1)Nc1nccc-2n1
InChIInChI=1S/C22H21N3O3/c1-26-20-8-7-17-14-21(20)28-12-3-2-11-27-15-16-5-4-6-18(13-16)24-22-23-10-9-19(17)25-22/h2-10,13-14H,11-12,15H2,1H3,(H,23,24,25)
InChIKeyUYYLETGYRNKXNR-UHFFFAOYSA-N
XLogP4.36
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene?
The IUPAC name of 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene (CID 73321225) is 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene.
What is the SMILES notation for 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene?
The canonical SMILES for 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene is COc1ccc2cc1OCC=CCOCc1cccc(c1)Nc1nccc-2n1.
What is the InChIKey of 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene?
The InChIKey is UYYLETGYRNKXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-26-20-8-7-17-14-21(20)28-12-3-2-11-27-15-16-5-4-6-18(13-16)24-22-23-10-9-19(17)25-22/h2-10,13-14H,11-12,15H2,1H3,(H,23,24,25).
What are the key properties of 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene?
21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene has a molecular weight of 375.43 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 21-methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),16,20,22-decaene is sourced from PubChem (CID 73321225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).