[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate

C20H17FN2O3 — CID 55562613

IUPAC[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate
SMILESCN(Cc1ccccc1F)C(=O)COC(=O)c1cccc2ncccc12
InChIInChI=1S/C20H17FN2O3/c1-23(12-14-6-2-3-9-17(14)21)19(24)13-26-20(25)16-7-4-10-18-15(16)8-5-11-22-18/h2-11H,12-13H2,1H3
InChIKeyFSQADJPBRQFJPR-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.19
Rot. Bonds5

About [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate (PubChem CID 55562613) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate
PubChem CID55562613
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate
SMILESCN(Cc1ccccc1F)C(=O)COC(=O)c1cccc2ncccc12
InChIInChI=1S/C20H17FN2O3/c1-23(12-14-6-2-3-9-17(14)21)19(24)13-26-20(25)16-7-4-10-18-15(16)8-5-11-22-18/h2-11H,12-13H2,1H3
InChIKeyFSQADJPBRQFJPR-UHFFFAOYSA-N
XLogP3.19
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 55401370
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 55459905
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,4-dichlorobenzoate
CID 55401198
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate
CID 8563364
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807880
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845273
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 9346520
2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 43033076
[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765526
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8577346

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate?
The IUPAC name of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate (CID 55562613) is [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate.
What is the SMILES notation for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate?
The canonical SMILES for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate is CN(Cc1ccccc1F)C(=O)COC(=O)c1cccc2ncccc12.
What is the InChIKey of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate?
The InChIKey is FSQADJPBRQFJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-23(12-14-6-2-3-9-17(14)21)19(24)13-26-20(25)16-7-4-10-18-15(16)8-5-11-22-18/h2-11H,12-13H2,1H3.
What are the key properties of [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate?
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate has a molecular weight of 352.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] quinoline-5-carboxylate is sourced from PubChem (CID 55562613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).