2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide

C15H17ClN2OS — CID 75416683

IUPAC2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2OS/c1-10(2)18-14(19)9-20-8-11-5-6-13(16)12-4-3-7-17-15(11)12/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyJAGIBYUIEUIENZ-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.65
Rot. Bonds5

About 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide

2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide (PubChem CID 75416683) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide
PubChem CID75416683
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H17ClN2OS/c1-10(2)18-14(19)9-20-8-11-5-6-13(16)12-4-3-7-17-15(11)12/h3-7,10H,8-9H2,1-2H3,(H,18,19)
InChIKeyJAGIBYUIEUIENZ-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 134058084
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
methyl 2-[2-(5-chloroquinolin-8-yl)ethoxy]acetate
CID 174478741
ethyl 2-[(5-chloroquinolin-8-yl)methylamino]propanoate
CID 115959237
5-chloro-8-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]quinoline
CID 38875747
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
N-[(5-chloroquinolin-8-yl)methyl]but-3-yn-2-amine
CID 114415420
1-(5-chloroquinolin-8-yl)-3-propan-2-ylthiourea
CID 115577732
N-[(5-chloroquinolin-8-yl)methyl]-1-methylsulfonylpropan-2-amine
CID 115697482
N-(2-fluorophenyl)-2-[(5-fluoroquinolin-8-yl)methylsulfanyl]acetamide
CID 87033616

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide (CID 75416683) is 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide?
The InChIKey is JAGIBYUIEUIENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-10(2)18-14(19)9-20-8-11-5-6-13(16)12-4-3-7-17-15(11)12/h3-7,10H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide?
2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide has a molecular weight of 308.83 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 75416683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).