2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione

C24H25NO6 — CID 170670674

IUPAC2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione
SMILESCOc1ccc(OC2=CC(=O)c3c(OCCCN4CCOCC4)cccc3C2=O)cc1
InChIInChI=1S/C24H25NO6/c1-28-17-6-8-18(9-7-17)31-22-16-20(26)23-19(24(22)27)4-2-5-21(23)30-13-3-10-25-11-14-29-15-12-25/h2,4-9,16H,3,10-15H2,1H3
InChIKeyLVCSZWDHHXAMCE-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.14
Rot. Bonds8

About 2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione

2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione (PubChem CID 170670674) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione
PubChem CID170670674
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione
SMILESCOc1ccc(OC2=CC(=O)c3c(OCCCN4CCOCC4)cccc3C2=O)cc1
InChIInChI=1S/C24H25NO6/c1-28-17-6-8-18(9-7-17)31-22-16-20(26)23-19(24(22)27)4-2-5-21(23)30-13-3-10-25-11-14-29-15-12-25/h2,4-9,16H,3,10-15H2,1H3
InChIKeyLVCSZWDHHXAMCE-UHFFFAOYSA-N
XLogP3.14
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione?
The IUPAC name of 2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione (CID 170670674) is 2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione.
What is the SMILES notation for 2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione?
The canonical SMILES for 2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione is COc1ccc(OC2=CC(=O)c3c(OCCCN4CCOCC4)cccc3C2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione?
The InChIKey is LVCSZWDHHXAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-28-17-6-8-18(9-7-17)31-22-16-20(26)23-19(24(22)27)4-2-5-21(23)30-13-3-10-25-11-14-29-15-12-25/h2,4-9,16H,3,10-15H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione?
2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione has a molecular weight of 423.47 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione is sourced from PubChem (CID 170670674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).