N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide

C19H18BrFN2O3 — CID 24657290

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2cccc(F)c21)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C19H18BrFN2O3/c20-13-9-16-17(26-8-7-25-16)10-15(13)22-18(24)11-23-6-2-4-12-3-1-5-14(21)19(12)23/h1,3,5,9-10H,2,4,6-8,11H2,(H,22,24)
InChIKeyKQNANMCERKHZPB-UHFFFAOYSA-N
MW421.27 g/mol
LogP3.75
Rot. Bonds3

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 24657290) has the molecular formula C19H18BrFN2O3 and a molecular weight of 421.27 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID24657290
Molecular FormulaC19H18BrFN2O3
Molecular Weight421.27 g/mol
Exact Mass420.05
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESO=C(CN1CCCc2cccc(F)c21)Nc1cc2c(cc1Br)OCCO2
InChIInChI=1S/C19H18BrFN2O3/c20-13-9-16-17(26-8-7-25-16)10-15(13)22-18(24)11-23-6-2-4-12-3-1-5-14(21)19(12)23/h1,3,5,9-10H,2,4,6-8,11H2,(H,22,24)
InChIKeyKQNANMCERKHZPB-UHFFFAOYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.27
LogP ≤ 53.75
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-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564858
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46405968
2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 25337551
N-(2-bromophenyl)-2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46601828
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(5-chloro-2-fluoroanilino)acetamide
CID 46700605
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 39996091
2-(4-acetylpiperazin-1-yl)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide
CID 24564936
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 41176398
2-(7-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 75431188
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 34008890

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 24657290) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-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-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide is O=C(CN1CCCc2cccc(F)c21)Nc1cc2c(cc1Br)OCCO2.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is KQNANMCERKHZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O3/c20-13-9-16-17(26-8-7-25-16)10-15(13)22-18(24)11-23-6-2-4-12-3-1-5-14(21)19(12)23/h1,3,5,9-10H,2,4,6-8,11H2,(H,22,24).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 421.27 g/mol, XLogP of 3.75, 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-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 24657290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).