N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

C19H19BrN2O3 — CID 24564858

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C19H19BrN2O3/c20-14-10-17-18(25-9-8-24-17)11-15(14)21-19(23)12-22-7-3-5-13-4-1-2-6-16(13)22/h1-2,4,6,10-11H,3,5,7-9,12H2,(H,21,23)
InChIKeyOARDJBHOFGHGBJ-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.61
Rot. Bonds3

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 24564858) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID24564858
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2ccccc21)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C19H19BrN2O3/c20-14-10-17-18(25-9-8-24-17)11-15(14)21-19(23)12-22-7-3-5-13-4-1-2-6-16(13)22/h1-2,4,6,10-11H,3,5,7-9,12H2,(H,21,23)
InChIKeyOARDJBHOFGHGBJ-UHFFFAOYSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46405968
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24657290
N-(2-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686621
N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
CID 28866702
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide
CID 9272269
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 27131729
N-(2-butoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 54817149
2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24564936
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 24564858) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is O=C(CN1CCCc2ccccc21)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is OARDJBHOFGHGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-14-10-17-18(25-9-8-24-17)11-15(14)21-19(23)12-22-7-3-5-13-4-1-2-6-16(13)22/h1-2,4,6,10-11H,3,5,7-9,12H2,(H,21,23).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 403.28 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 24564858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).