N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide

C25H22N2O4 — CID 15998549

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
SMILESO=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H22N2O4/c28-24(26-17-11-12-22-23(16-17)31-15-14-30-22)10-5-13-27-20-8-3-1-6-18(20)25(29)19-7-2-4-9-21(19)27/h1-4,6-9,11-12,16H,5,10,13-15H2,(H,26,28)
InChIKeyFMZIBYDADBSELV-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.34
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide (PubChem CID 15998549) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
PubChem CID15998549
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
SMILESO=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C25H22N2O4/c28-24(26-17-11-12-22-23(16-17)31-15-14-30-22)10-5-13-27-20-8-3-1-6-18(20)25(29)19-7-2-4-9-21(19)27/h1-4,6-9,11-12,16H,5,10,13-15H2,(H,26,28)
InChIKeyFMZIBYDADBSELV-UHFFFAOYSA-N
XLogP4.34
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide 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

N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330387
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanamide
CID 3235668
N-(1,3-benzodioxol-5-yl)-6-(2,4-dioxo-1H-quinazolin-3-yl)hexanamide
CID 4904247
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 51369732
N-(2-bromophenyl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998600
N-(1,3-benzodioxol-5-yl)-4-[4-oxo-2-(trifluoromethyl)quinazolin-3-yl]butanamide
CID 16767097
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254983
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 644429

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide (CID 15998549) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide is O=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide?
The InChIKey is FMZIBYDADBSELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c28-24(26-17-11-12-22-23(16-17)31-15-14-30-22)10-5-13-27-20-8-3-1-6-18(20)25(29)19-7-2-4-9-21(19)27/h1-4,6-9,11-12,16H,5,10,13-15H2,(H,26,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide has a molecular weight of 414.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide is sourced from PubChem (CID 15998549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).