11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene

C23H23N3O3 — CID 73321222

IUPAC11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
SMILESCOc1ccc2cc1COCC=CCCOc1cccc(c1)-c1ccnc(n1)N2
InChIInChI=1S/C23H23N3O3/c1-27-22-9-8-19-14-18(22)16-28-12-3-2-4-13-29-20-7-5-6-17(15-20)21-10-11-24-23(25-19)26-21/h2-3,5-11,14-15H,4,12-13,16H2,1H3,(H,24,25,26)
InChIKeyHQKBTTAFASOYDG-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.75
Rot. Bonds1

About 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene

11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene (PubChem CID 73321222) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene.

Molecular Properties

Compound Name11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
PubChem CID73321222
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
SMILESCOc1ccc2cc1COCC=CCCOc1cccc(c1)-c1ccnc(n1)N2
InChIInChI=1S/C23H23N3O3/c1-27-22-9-8-19-14-18(22)16-28-12-3-2-4-13-29-20-7-5-6-17(15-20)21-10-11-24-23(25-19)26-21/h2-3,5-11,14-15H,4,12-13,16H2,1H3,(H,24,25,26)
InChIKeyHQKBTTAFASOYDG-UHFFFAOYSA-N
XLogP4.75
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene?
The IUPAC name of 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene (CID 73321222) is 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene.
What is the SMILES notation for 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene?
The canonical SMILES for 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene is COc1ccc2cc1COCC=CCCOc1cccc(c1)-c1ccnc(n1)N2.
What is the InChIKey of 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene?
The InChIKey is HQKBTTAFASOYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-27-22-9-8-19-14-18(22)16-28-12-3-2-4-13-29-20-7-5-6-17(15-20)21-10-11-24-23(25-19)26-21/h2-3,5-11,14-15H,4,12-13,16H2,1H3,(H,24,25,26).
What are the key properties of 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene?
11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene has a molecular weight of 389.46 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene is sourced from PubChem (CID 73321222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).