N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide

C12H11ClN2O2S — CID 87609584

IUPACN-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide
SMILESCC(=O)N=S(C)(=O)c1ccc2nccc(Cl)c2c1
InChIInChI=1S/C12H11ClN2O2S/c1-8(16)15-18(2,17)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-7H,1-2H3
InChIKeyYDBGJMBQPYFAIY-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.89
Rot. Bonds1

About N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide

N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide (PubChem CID 87609584) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

Compound NameN-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide
PubChem CID87609584
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide
SMILESCC(=O)N=S(C)(=O)c1ccc2nccc(Cl)c2c1
InChIInChI=1S/C12H11ClN2O2S/c1-8(16)15-18(2,17)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-7H,1-2H3
InChIKeyYDBGJMBQPYFAIY-UHFFFAOYSA-N
XLogP2.89
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide?
The IUPAC name of N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide (CID 87609584) is N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide.
What is the SMILES notation for N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide?
The canonical SMILES for N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide is CC(=O)N=S(C)(=O)c1ccc2nccc(Cl)c2c1.
What is the InChIKey of N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide?
The InChIKey is YDBGJMBQPYFAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-8(16)15-18(2,17)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-7H,1-2H3.
What are the key properties of N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide?
N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 282.75 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloroquinolin-6-yl)-methyl-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 87609584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).