2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C17H15ClN2O2S — CID 8716298

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1cccs1
InChIInChI=1S/C17H15ClN2O2S/c1-11(15-5-3-9-23-15)20-16(21)10-22-14-7-6-13(18)12-4-2-8-19-17(12)14/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyRSSBKAYQAWGPGB-NSHDSACASA-N
MW346.84 g/mol
LogP4.21
Rot. Bonds5

About 2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 8716298) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID8716298
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1cccs1
InChIInChI=1S/C17H15ClN2O2S/c1-11(15-5-3-9-23-15)20-16(21)10-22-14-7-6-13(18)12-4-2-8-19-17(12)14/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m0/s1
InChIKeyRSSBKAYQAWGPGB-NSHDSACASA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 8716466
N-butan-2-yl-2-(5-chloroquinolin-8-yl)oxyacetamide
CID 47104754
2-(5-chloroquinolin-8-yl)oxy-N-(1-methoxypropan-2-yl)acetamide
CID 51172403
2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-3-methylpentanamide
CID 3865457
(2R)-2-[[2-(5-chloroquinolin-8-yl)oxyacetyl]amino]-4-methylpentanoic acid
CID 119363599
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7847611
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide
CID 119505408
2-(5-chloroquinolin-8-yl)oxy-N-[2-(ethylamino)ethyl]acetamide;dihydrochloride
CID 119505407
2-(5-chloroquinolin-8-yl)oxy-N-(2,6-dimethylphenyl)acetamide
CID 8716363

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 8716298) is 2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)COc1ccc(Cl)c2cccnc12)c1cccs1.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is RSSBKAYQAWGPGB-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-11(15-5-3-9-23-15)20-16(21)10-22-14-7-6-13(18)12-4-2-8-19-17(12)14/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m0/s1.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 346.84 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 8716298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).