N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide

C21H24F2N2O3 — CID 34010060

IUPACN-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCCc3cc(F)cc(F)c32)c1
InChIInChI=1S/C21H24F2N2O3/c1-3-27-16-7-8-19(28-4-2)18(12-16)24-20(26)13-25-9-5-6-14-10-15(22)11-17(23)21(14)25/h7-8,10-12H,3-6,9,13H2,1-2H3,(H,24,26)
InChIKeyJAUAHNIQKXDIBU-UHFFFAOYSA-N
MW390.43 g/mol
LogP4.15
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 34010060) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID34010060
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC NameN-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2CCCc3cc(F)cc(F)c32)c1
InChIInChI=1S/C21H24F2N2O3/c1-3-27-16-7-8-19(28-4-2)18(12-16)24-20(26)13-25-9-5-6-14-10-15(22)11-17(23)21(14)25/h7-8,10-12H,3-6,9,13H2,1-2H3,(H,24,26)
InChIKeyJAUAHNIQKXDIBU-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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-ethoxyphenyl)acetamide
CID 34008890
N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859
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)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(propylcarbamoyl)acetamide
CID 34009318
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2,5-diethoxyphenyl)acetamide
CID 24566651
N-(2,5-diethoxyphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 24564917
N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
CID 43065952
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43065877
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
1-(2,5-diethoxyphenyl)-3-(2,4-difluorophenyl)urea
CID 46859658
N-(2,5-diethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 43000702

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 34010060) is N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide is CCOc1ccc(OCC)c(NC(=O)CN2CCCc3cc(F)cc(F)c32)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is JAUAHNIQKXDIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-3-27-16-7-8-19(28-4-2)18(12-16)24-20(26)13-25-9-5-6-14-10-15(22)11-17(23)21(14)25/h7-8,10-12H,3-6,9,13H2,1-2H3,(H,24,26).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 390.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 34010060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).