8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

C20H23N5O2 — CID 50942111

IUPAC8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESCOc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1
InChIInChI=1S/C20H23N5O2/c1-26-14-2-4-15(5-3-14)27-16-12-24(13-16)20-17-6-9-21-10-7-18(17)23-19-8-11-22-25(19)20/h2-5,8,11,16,21H,6-7,9-10,12-13H2,1H3
InChIKeyCECBDGKHOSMIRW-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.69
Rot. Bonds4

About 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene

8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (PubChem CID 50942111) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.

Molecular Properties

Compound Name8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
PubChem CID50942111
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
SMILESCOc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1
InChIInChI=1S/C20H23N5O2/c1-26-14-2-4-15(5-3-14)27-16-12-24(13-16)20-17-6-9-21-10-7-18(17)23-19-8-11-22-25(19)20/h2-5,8,11,16,21H,6-7,9-10,12-13H2,1H3
InChIKeyCECBDGKHOSMIRW-UHFFFAOYSA-N
XLogP1.69
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The IUPAC name of 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene (CID 50942111) is 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene.
What is the SMILES notation for 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The canonical SMILES for 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is COc1ccc(OC2CN(c3c4c(nc5ccnn35)CCNCC4)C2)cc1.
What is the InChIKey of 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
The InChIKey is CECBDGKHOSMIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-26-14-2-4-15(5-3-14)27-16-12-24(13-16)20-17-6-9-21-10-7-18(17)23-19-8-11-22-25(19)20/h2-5,8,11,16,21H,6-7,9-10,12-13H2,1H3.
What are the key properties of 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene?
8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene has a molecular weight of 365.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-methoxyphenoxy)azetidin-1-yl]-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene is sourced from PubChem (CID 50942111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).