N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide

C21H20N2O4 — CID 169422185

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(C)cc(-c3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C21H20N2O4/c1-13-9-17(14-3-6-19-20(10-14)27-8-7-26-19)23-18-11-15(4-5-16(13)18)22-21(24)12-25-2/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,24)
InChIKeyDSWOKWLKIPQOJS-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.57
Rot. Bonds4

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide (PubChem CID 169422185) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide
PubChem CID169422185
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(C)cc(-c3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C21H20N2O4/c1-13-9-17(14-3-6-19-20(10-14)27-8-7-26-19)23-18-11-15(4-5-16(13)18)22-21(24)12-25-2/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,24)
InChIKeyDSWOKWLKIPQOJS-UHFFFAOYSA-N
XLogP3.57
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298895
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinoline
CID 2620938
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenoxy)acetamide
CID 732521
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2097342
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 1186716
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086747
methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate
CID 169421328
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033050
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617651
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
CID 51172531
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773095
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide
CID 31308040

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide (CID 169422185) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide is COCC(=O)Nc1ccc2c(C)cc(-c3ccc4c(c3)OCCO4)nc2c1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide?
The InChIKey is DSWOKWLKIPQOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13-9-17(14-3-6-19-20(10-14)27-8-7-26-19)23-18-11-15(4-5-16(13)18)22-21(24)12-25-2/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide has a molecular weight of 364.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylquinolin-7-yl]-2-methoxyacetamide is sourced from PubChem (CID 169422185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).