N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide

C19H18N2O3S — CID 2405501

IUPACN-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C19H18N2O3S/c1-23-14-8-9-15(16(11-14)24-2)21-18(22)12-25-17-7-3-5-13-6-4-10-20-19(13)17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyYBCVCYFTGZLRJN-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.98
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide

N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide (PubChem CID 2405501) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide
PubChem CID2405501
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C19H18N2O3S/c1-23-14-8-9-15(16(11-14)24-2)21-18(22)12-25-17-7-3-5-13-6-4-10-20-19(13)17/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyYBCVCYFTGZLRJN-UHFFFAOYSA-N
XLogP3.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide (CID 2405501) is N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide is COc1ccc(NC(=O)CSc2cccc3cccnc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide?
The InChIKey is YBCVCYFTGZLRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-14-8-9-15(16(11-14)24-2)21-18(22)12-25-17-7-3-5-13-6-4-10-20-19(13)17/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide has a molecular weight of 354.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-quinolin-8-ylsulfanylacetamide is sourced from PubChem (CID 2405501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).