2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C21H24F2N2O3 — CID 43065877

IUPAC2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CCCc3cc(F)cc(F)c32)cc1OC
InChIInChI=1S/C21H24F2N2O3/c1-27-18-6-5-14(10-19(18)28-2)7-8-24-20(26)13-25-9-3-4-15-11-16(22)12-17(23)21(15)25/h5-6,10-12H,3-4,7-9,13H2,1-2H3,(H,24,26)
InChIKeyWTLLGIBOLGLAIW-UHFFFAOYSA-N
MW390.43 g/mol
LogP3.09
Rot. Bonds7

About 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 43065877) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID43065877
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CCCc3cc(F)cc(F)c32)cc1OC
InChIInChI=1S/C21H24F2N2O3/c1-27-18-6-5-14(10-19(18)28-2)7-8-24-20(26)13-25-9-3-4-15-11-16(22)12-17(23)21(15)25/h5-6,10-12H,3-4,7-9,13H2,1-2H3,(H,24,26)
InChIKeyWTLLGIBOLGLAIW-UHFFFAOYSA-N
XLogP3.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 43065879
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 78860773
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide
CID 34009318
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 37112241
2-(4-aminopiperidin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119908061
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 47006373
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 60502651
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108891289
1-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909301
N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
CID 43065952

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 43065877) is 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN2CCCc3cc(F)cc(F)c32)cc1OC.
What is the InChIKey of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is WTLLGIBOLGLAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-27-18-6-5-14(10-19(18)28-2)7-8-24-20(26)13-25-9-3-4-15-11-16(22)12-17(23)21(15)25/h5-6,10-12H,3-4,7-9,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 390.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 43065877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).