2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene

C20H25N3O2 — CID 164887526

IUPAC2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene
SMILESc1cc2c(cn1)Oc1ccc3cc1N2CCCCCNCCCCO3
InChIInChI=1S/C20H25N3O2/c1-2-9-21-10-3-5-13-24-16-6-7-19-18(14-16)23(12-4-1)17-8-11-22-15-20(17)25-19/h6-8,11,14-15,21H,1-5,9-10,12-13H2
InChIKeyWPWQBZJQMAGPBQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.26
Rot. Bonds

About 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene

2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene (PubChem CID 164887526) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene.

Molecular Properties

Compound Name2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene
PubChem CID164887526
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene
SMILESc1cc2c(cn1)Oc1ccc3cc1N2CCCCCNCCCCO3
InChIInChI=1S/C20H25N3O2/c1-2-9-21-10-3-5-13-24-16-6-7-19-18(14-16)23(12-4-1)17-8-11-22-15-20(17)25-19/h6-8,11,14-15,21H,1-5,9-10,12-13H2
InChIKeyWPWQBZJQMAGPBQ-UHFFFAOYSA-N
XLogP4.26
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Methyl-2,5,20-trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene
CID 164513529
N-(3-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
CID 90643572
2,5,21-Trioxa-8,14,18-triazatetracyclo[12.10.2.015,20.022,26]hexacosa-1(25),15(20),16,18,22(26),23-hexaene
CID 168273191
2,10,20-Trioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene
CID 168274730
2,20-Dioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene
CID 168283292
8,13-Dioxa-1,5,18-triazatetracyclo[10.10.2.02,7.09,23]tetracosa-2(7),3,5,9(23),10,12(24)-hexaene
CID 168287694
2,5,20-Trioxa-8,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene
CID 168288184
8,13,20-Trioxa-1,5,17-triazatetracyclo[10.10.2.02,7.09,23]tetracosa-2(7),3,5,9(23),10,12(24)-hexaene
CID 168294038
8,13,16-Trioxa-1,5,19-triazatetracyclo[10.10.2.02,7.09,23]tetracosa-2(7),3,5,9(23),10,12(24)-hexaene
CID 168296028
4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)-N-(3-piperidin-1-ylpropyl)aniline
CID 145979423
[2-(3-Benzylamino-phenoxy)-ethyl]-pyridin-4-yl-amine
CID 44274840
2,11,21-Trioxa-8,14,18-triazatetracyclo[12.10.2.015,20.022,26]hexacosa-1(25),15(20),16,18,22(26),23-hexaene
CID 168282746

Frequently Asked Questions

What is the IUPAC name of 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene?
The IUPAC name of 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene (CID 164887526) is 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene.
What is the SMILES notation for 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene?
The canonical SMILES for 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene is c1cc2c(cn1)Oc1ccc3cc1N2CCCCCNCCCCO3.
What is the InChIKey of 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene?
The InChIKey is WPWQBZJQMAGPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-9-21-10-3-5-13-24-16-6-7-19-18(14-16)23(12-4-1)17-8-11-22-15-20(17)25-19/h6-8,11,14-15,21H,1-5,9-10,12-13H2.
What are the key properties of 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene?
2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene has a molecular weight of 339.44 g/mol, XLogP of 4.26, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,20-dioxa-7,13,17-triazatetracyclo[11.10.2.014,19.021,25]pentacosa-1(24),14(19),15,17,21(25),22-hexaene is sourced from PubChem (CID 164887526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).