3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol

C20H17N3O3 — CID 129055829

IUPAC3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol
SMILESOc1cccc(-c2cc(N3CCOCC3)c3c(n2)oc2ncccc23)c1
InChIInChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)16-12-17(23-7-9-25-10-8-23)18-15-5-2-6-21-19(15)26-20(18)22-16/h1-6,11-12,24H,7-10H2
InChIKeyRHFWNPQGLQDIGP-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.59
Rot. Bonds2

About 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol

3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol (PubChem CID 129055829) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol.

Molecular Properties

Compound Name3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol
PubChem CID129055829
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol
SMILESOc1cccc(-c2cc(N3CCOCC3)c3c(n2)oc2ncccc23)c1
InChIInChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)16-12-17(23-7-9-25-10-8-23)18-15-5-2-6-21-19(15)26-20(18)22-16/h1-6,11-12,24H,7-10H2
InChIKeyRHFWNPQGLQDIGP-UHFFFAOYSA-N
XLogP3.59
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol with MolForge

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Related Compounds

3-[4-morpholin-4-yl-7-(morpholin-4-ylmethyl)-1,6-naphthyridin-2-yl]phenol
CID 90038512
3-(4-morpholin-4-ylphenyl)phenol
CID 46887508
3-(2-morpholin-4-ylphenyl)phenol
CID 173316588
1-[4-(3-hydroxyphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]piperidin-4-one
CID 56645381
3-[2-(hydroxymethyl)-4-morpholin-4-ylpyrazolo[1,5-a]pyrazin-6-yl]phenol
CID 53353946
3-[8-morpholin-4-yl-2-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
CID 57394839
3-(8-morpholin-4-ylimidazo[1,5-a]pyrazin-6-yl)phenol
CID 53353950
4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane
CID 143936489
4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine;dihydrochloride
CID 122554560
3-(7-morpholin-4-yl-2H-triazolo[4,5-d]pyrimidin-5-yl)phenol
CID 173099726
4-[3-[(2-methylpropan-2-yl)oxy]phenyl]-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155461854
ethane;4-[1-(2-phenylquinolin-4-yl)piperidin-4-yl]morpholine
CID 144714319

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol?
The IUPAC name of 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol (CID 129055829) is 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol.
What is the SMILES notation for 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol?
The canonical SMILES for 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol is Oc1cccc(-c2cc(N3CCOCC3)c3c(n2)oc2ncccc23)c1.
What is the InChIKey of 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol?
The InChIKey is RHFWNPQGLQDIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-14-4-1-3-13(11-14)16-12-17(23-7-9-25-10-8-23)18-15-5-2-6-21-19(15)26-20(18)22-16/h1-6,11-12,24H,7-10H2.
What are the key properties of 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol?
3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol has a molecular weight of 347.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)phenol is sourced from PubChem (CID 129055829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).