2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide

C14H16N2O3S — CID 859832

IUPAC2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1cc2cc(C)c(SCC(N)=O)nc2cc1OC
InChIInChI=1S/C14H16N2O3S/c1-8-4-9-5-11(18-2)12(19-3)6-10(9)16-14(8)20-7-13(15)17/h4-6H,7H2,1-3H3,(H2,15,17)
InChIKeyYPBRQKSCGBCQGE-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.14
Rot. Bonds5

About 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide

2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 859832) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
PubChem CID859832
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1cc2cc(C)c(SCC(N)=O)nc2cc1OC
InChIInChI=1S/C14H16N2O3S/c1-8-4-9-5-11(18-2)12(19-3)6-10(9)16-14(8)20-7-13(15)17/h4-6H,7H2,1-3H3,(H2,15,17)
InChIKeyYPBRQKSCGBCQGE-UHFFFAOYSA-N
XLogP2.14
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethanone
CID 1171950
N-benzyl-2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1171908
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 859501
2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1171902
6,7-dimethoxy-3-methyl-2-(2-pyrrolidin-1-ylethylsulfanyl)quinoline;hydrochloride
CID 118741857
methyl 2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanylacetate
CID 1450792
6,7-dimethoxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 43812600
4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride
CID 171668654
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 43811402
1-pyrrolidin-1-yl-2-(3,6,7-trimethylquinolin-2-yl)sulfanylethanone
CID 856908
2-(3-methoxyquinoxalin-2-yl)sulfanylacetamide
CID 95916143
methyl 2-(3,7-dimethylquinolin-2-yl)sulfanylacetate
CID 864543

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide (CID 859832) is 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide is COc1cc2cc(C)c(SCC(N)=O)nc2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is YPBRQKSCGBCQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-4-9-5-11(18-2)12(19-3)6-10(9)16-14(8)20-7-13(15)17/h4-6H,7H2,1-3H3,(H2,15,17).
What are the key properties of 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide?
2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 292.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 859832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).