8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one

C26H23NO5 — CID 11640541

IUPAC8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one
SMILESO=C1C=CC2(Oc3cccc4c(OCCN5CCOCC5)ccc(c34)O2)c2ccccc21
InChIInChI=1S/C26H23NO5/c28-21-10-11-26(20-6-2-1-4-18(20)21)31-23-7-3-5-19-22(8-9-24(32-26)25(19)23)30-17-14-27-12-15-29-16-13-27/h1-11H,12-17H2
InChIKeyRDHXVRQHGNSSDP-UHFFFAOYSA-N
MW429.47 g/mol
LogP3.93
Rot. Bonds4

About 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one

8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one (PubChem CID 11640541) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one.

Molecular Properties

Compound Name8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one
PubChem CID11640541
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Name8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one
SMILESO=C1C=CC2(Oc3cccc4c(OCCN5CCOCC5)ccc(c34)O2)c2ccccc21
InChIInChI=1S/C26H23NO5/c28-21-10-11-26(20-6-2-1-4-18(20)21)31-23-7-3-5-19-22(8-9-24(32-26)25(19)23)30-17-14-27-12-15-29-16-13-27/h1-11H,12-17H2
InChIKeyRDHXVRQHGNSSDP-UHFFFAOYSA-N
XLogP3.93
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one with MolForge

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Related Compounds

4-[2-(4-chloronaphthalen-1-yl)oxyethyl]morpholine
CID 868523
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CID 59379811
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl] cyanate
CID 143015562
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
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4-(2-morpholin-4-ylethoxy)chromen-2-one
CID 171354921
[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 18628987
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]propane-1,2-dione
CID 58262575
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
1-tert-butyl-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
CID 11464077
8-(2-morpholin-4-ylethoxy)-4-propan-2-yl-1,3-benzoxazin-2-one
CID 142239586

Frequently Asked Questions

What is the IUPAC name of 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one?
The IUPAC name of 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one (CID 11640541) is 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one.
What is the SMILES notation for 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one?
The canonical SMILES for 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one is O=C1C=CC2(Oc3cccc4c(OCCN5CCOCC5)ccc(c34)O2)c2ccccc21.
What is the InChIKey of 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one?
The InChIKey is RDHXVRQHGNSSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c28-21-10-11-26(20-6-2-1-4-18(20)21)31-23-7-3-5-19-22(8-9-24(32-26)25(19)23)30-17-14-27-12-15-29-16-13-27/h1-11H,12-17H2.
What are the key properties of 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one?
8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one has a molecular weight of 429.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-morpholin-4-ylethoxy)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-3,4'-naphthalene]-1'-one is sourced from PubChem (CID 11640541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).