11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine

C25H23NO6 — CID 11495744

IUPAC11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine
SMILESCOc1cc(COc2c3ccccc3nc3cc4c(cc23)OCCO4)cc(OC)c1OC
InChIInChI=1S/C25H23NO6/c1-27-22-10-15(11-23(28-2)25(22)29-3)14-32-24-16-6-4-5-7-18(16)26-19-13-21-20(12-17(19)24)30-8-9-31-21/h4-7,10-13H,8-9,14H2,1-3H3
InChIKeyFDOCRXRSZGTUQH-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.76
Rot. Bonds6

About 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine

11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine (PubChem CID 11495744) has the molecular formula C25H23NO6 and a molecular weight of 433.46 g/mol. Its IUPAC name is 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine.

Molecular Properties

Compound Name11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine
PubChem CID11495744
Molecular FormulaC25H23NO6
Molecular Weight433.46 g/mol
Exact Mass433.15
IUPAC Name11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine
SMILESCOc1cc(COc2c3ccccc3nc3cc4c(cc23)OCCO4)cc(OC)c1OC
InChIInChI=1S/C25H23NO6/c1-27-22-10-15(11-23(28-2)25(22)29-3)14-32-24-16-6-4-5-7-18(16)26-19-13-21-20(12-17(19)24)30-8-9-31-21/h4-7,10-13H,8-9,14H2,1-3H3
InChIKeyFDOCRXRSZGTUQH-UHFFFAOYSA-N
XLogP4.76
TPSA68.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine 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-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one
CID 51109322
2-phenyl-4-(trifluoromethyl)-5-[(3,4,5-trimethoxyphenyl)methoxy]-1,3-oxazole
CID 14443374
triphenyl-[(3,4,5-trimethoxyphenyl)methoxy]silane
CID 71329016
5-[9-(hydroxymethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl]-2-methoxyphenol
CID 134130870
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
2-(3,4-dimethoxy-5-phenylmethoxyphenyl)quinoline
CID 140606301
N-[[3-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethoxy)-5-methoxyphenyl]methyl]-1-phenylethanamine;hydrochloride
CID 17057343
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
N'-acridin-9-yl-3,4,5-trimethoxybenzohydrazide
CID 3138565
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110537997
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
CID 16637848
2-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinoxaline
CID 141466082

Frequently Asked Questions

What is the IUPAC name of 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine?
The IUPAC name of 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine (CID 11495744) is 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine.
What is the SMILES notation for 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine?
The canonical SMILES for 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine is COc1cc(COc2c3ccccc3nc3cc4c(cc23)OCCO4)cc(OC)c1OC.
What is the InChIKey of 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine?
The InChIKey is FDOCRXRSZGTUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6/c1-27-22-10-15(11-23(28-2)25(22)29-3)14-32-24-16-6-4-5-7-18(16)26-19-13-21-20(12-17(19)24)30-8-9-31-21/h4-7,10-13H,8-9,14H2,1-3H3.
What are the key properties of 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine?
11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine has a molecular weight of 433.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(3,4,5-trimethoxyphenyl)methoxy]-2,3-dihydro-[1,4]dioxino[2,3-b]acridine is sourced from PubChem (CID 11495744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).