3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide

C20H22FN3O2 — CID 46405945

IUPAC3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN2CCCc3cc(F)ccc32)c1
InChIInChI=1S/C20H22FN3O2/c1-23(2)20(26)15-5-3-7-17(12-15)22-19(25)13-24-10-4-6-14-11-16(21)8-9-18(14)24/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,22,25)
InChIKeyRNIVOJGJWAVFIG-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.92
Rot. Bonds4

About 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide

3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 46405945) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
PubChem CID46405945
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN2CCCc3cc(F)ccc32)c1
InChIInChI=1S/C20H22FN3O2/c1-23(2)20(26)15-5-3-7-17(12-15)22-19(25)13-24-10-4-6-14-11-16(21)8-9-18(14)24/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,22,25)
InChIKeyRNIVOJGJWAVFIG-UHFFFAOYSA-N
XLogP2.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 55627178
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 46405965
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46405968
3-[[2-[2-(3-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 120756225
3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54810846
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817030
N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 43065986
N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
CID 55887711

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide (CID 46405945) is 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CN2CCCc3cc(F)ccc32)c1.
What is the InChIKey of 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is RNIVOJGJWAVFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-23(2)20(26)15-5-3-7-17(12-15)22-19(25)13-24-10-4-6-14-11-16(21)8-9-18(14)24/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,22,25).
What are the key properties of 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 355.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 46405945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).