N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide

C26H22N2O4 — CID 46298895

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
SMILESCc1ccc(-c2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C26H22N2O4/c1-17-6-8-18(9-7-17)22-15-24(20-4-2-3-5-21(20)28-22)32-16-26(29)27-19-10-11-23-25(14-19)31-13-12-30-23/h2-11,14-15H,12-13,16H2,1H3,(H,27,29)
InChIKeyVHMXMCPZANSFFC-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.00
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide (PubChem CID 46298895) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
PubChem CID46298895
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
SMILESCc1ccc(-c2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C26H22N2O4/c1-17-6-8-18(9-7-17)22-15-24(20-4-2-3-5-21(20)28-22)32-16-26(29)27-19-10-11-23-25(14-19)31-13-12-30-23/h2-11,14-15H,12-13,16H2,1H3,(H,27,29)
InChIKeyVHMXMCPZANSFFC-UHFFFAOYSA-N
XLogP5.00
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298901
N-(3-acetylphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298896
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298915
N-phenyl-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298665
N-[(4-methylphenyl)methyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298662
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
2-(2-bromo-4-methylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1363827
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-naphthalen-1-yloxyacetamide
CID 7860156
N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)quinolin-4-yl]oxyacetamide
CID 46298628
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43823034
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23735681
methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113121

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide (CID 46298895) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide is Cc1ccc(-c2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide?
The InChIKey is VHMXMCPZANSFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-17-6-8-18(9-7-17)22-15-24(20-4-2-3-5-21(20)28-22)32-16-26(29)27-19-10-11-23-25(14-19)31-13-12-30-23/h2-11,14-15H,12-13,16H2,1H3,(H,27,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide has a molecular weight of 426.47 g/mol, XLogP of 5.00, 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)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide is sourced from PubChem (CID 46298895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).