N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide

C23H25N3O4S — CID 162652375

IUPACN-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)COc2cccc3ccc(N4CCCC4)nc23)cc1
InChIInChI=1S/C23H25N3O4S/c1-31(28,29)19-10-7-17(8-11-19)15-24-22(27)16-30-20-6-4-5-18-9-12-21(25-23(18)20)26-13-2-3-14-26/h4-12H,2-3,13-16H2,1H3,(H,24,27)
InChIKeyTYUUAVDGQXBMMU-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.93
Rot. Bonds7

About N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide

N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide (PubChem CID 162652375) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
PubChem CID162652375
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)COc2cccc3ccc(N4CCCC4)nc23)cc1
InChIInChI=1S/C23H25N3O4S/c1-31(28,29)19-10-7-17(8-11-19)15-24-22(27)16-30-20-6-4-5-18-9-12-21(25-23(18)20)26-13-2-3-14-26/h4-12H,2-3,13-16H2,1H3,(H,24,27)
InChIKeyTYUUAVDGQXBMMU-UHFFFAOYSA-N
XLogP2.93
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570656
N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 162650633
N-(4-ethylphenyl)-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570644
N-(4-acetamidophenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 16826739
N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide
CID 16812643
N-(4-acetylphenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 20933073
2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27555622
N-[(4-methylsulfonylphenyl)methyl]-2-phenoxyacetamide
CID 110784498
N-benzyl-2-[2-(diethylamino)quinolin-8-yl]oxyacetamide
CID 162675843
N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide
CID 27476098
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-methoxyacetamide
CID 71842546
1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
CID 20933082

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The IUPAC name of N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide (CID 162652375) is N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide is CS(=O)(=O)c1ccc(CNC(=O)COc2cccc3ccc(N4CCCC4)nc23)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The InChIKey is TYUUAVDGQXBMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-31(28,29)19-10-7-17(8-11-19)15-24-22(27)16-30-20-6-4-5-18-9-12-21(25-23(18)20)26-13-2-3-14-26/h4-12H,2-3,13-16H2,1H3,(H,24,27).
What are the key properties of N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide has a molecular weight of 439.54 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 162652375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).