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'}

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

2-(4-fluorophenoxy)-5-(2-morpholin-4-ylethoxy)naphthalene-1,4-dione
CID 170549572
5-(2-morpholin-4-ylethoxy)-2-phenoxynaphthalene-1,4-dione
CID 170670656
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
5-(2-morpholin-4-ylethoxy)-2-[(3E,5Z)-octa-1,3,5-trien-3-yl]oxynaphthalene-1,4-dione
CID 163275887
5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione
CID 122185484
5-(4-bromobutoxy)-2-phenoxynaphthalene-1,4-dione
CID 170670636
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde
CID 174370895
5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one
CID 144805379
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190

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).