2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide

C17H22FN3O2 — CID 51086743

IUPAC2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)Cc1ccc(F)c2cccnc12
InChIInChI=1S/C17H22FN3O2/c1-20(2)16(22)12-21(9-10-23-3)11-13-6-7-15(18)14-5-4-8-19-17(13)14/h4-8H,9-12H2,1-3H3
InChIKeyUITOPZCEKJSIPM-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.91
Rot. Bonds7

About 2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide

2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (PubChem CID 51086743) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
PubChem CID51086743
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
SMILESCOCCN(CC(=O)N(C)C)Cc1ccc(F)c2cccnc12
InChIInChI=1S/C17H22FN3O2/c1-20(2)16(22)12-21(9-10-23-3)11-13-6-7-15(18)14-5-4-8-19-17(13)14/h4-8H,9-12H2,1-3H3
InChIKeyUITOPZCEKJSIPM-UHFFFAOYSA-N
XLogP1.91
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide (CID 51086743) is 2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is COCCN(CC(=O)N(C)C)Cc1ccc(F)c2cccnc12.
What is the InChIKey of 2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
The InChIKey is UITOPZCEKJSIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-20(2)16(22)12-21(9-10-23-3)11-13-6-7-15(18)14-5-4-8-19-17(13)14/h4-8H,9-12H2,1-3H3.
What are the key properties of 2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide?
2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide has a molecular weight of 319.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoroquinolin-8-yl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 51086743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).