N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide

C25H21ClN2O4 — CID 16622354

IUPACN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C25H21ClN2O4/c26-19-13-16(14-22-25(19)32-12-11-31-22)9-10-27-23(29)15-28-20-7-3-1-5-17(20)24(30)18-6-2-4-8-21(18)28/h1-8,13-14H,9-12,15H2,(H,27,29)
InChIKeyKRGVGAIIXDSJMR-UHFFFAOYSA-N
MW448.91 g/mol
LogP3.94
Rot. Bonds5

About N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 16622354) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID16622354
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC NameN-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C25H21ClN2O4/c26-19-13-16(14-22-25(19)32-12-11-31-22)9-10-27-23(29)15-28-20-7-3-1-5-17(20)24(30)18-6-2-4-8-21(18)28/h1-8,13-14H,9-12,15H2,(H,27,29)
InChIKeyKRGVGAIIXDSJMR-UHFFFAOYSA-N
XLogP3.94
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.91
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 16577145
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25473960
2-(benzotriazol-1-yl)-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]acetamide
CID 51284087
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(N-ethylanilino)acetamide
CID 55838690
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]benzamide
CID 18126425
2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]acetamide
CID 98318397
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(furan-2-yl)propanamide
CID 24630311
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-(methylamino)butanamide
CID 119697998
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 24655179
2-chloro-N-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]ethyl]benzamide
CID 55659317
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-phenylphenoxy)acetamide
CID 24655170
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-cyclopentylacetamide
CID 24630297

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 16622354) is N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is KRGVGAIIXDSJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4/c26-19-13-16(14-22-25(19)32-12-11-31-22)9-10-27-23(29)15-28-20-7-3-1-5-17(20)24(30)18-6-2-4-8-21(18)28/h1-8,13-14H,9-12,15H2,(H,27,29).
What are the key properties of N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 448.91 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 16622354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).