2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide

C13H12N2O3S — CID 859501

IUPAC2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
SMILESCc1cc2cc3c(cc2nc1SCC(N)=O)OCO3
InChIInChI=1S/C13H12N2O3S/c1-7-2-8-3-10-11(18-6-17-10)4-9(8)15-13(7)19-5-12(14)16/h2-4H,5-6H2,1H3,(H2,14,16)
InChIKeySVRMXCGMDPAFSP-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.85
Rot. Bonds3

About 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide

2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide (PubChem CID 859501) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound Name2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
PubChem CID859501
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
SMILESCc1cc2cc3c(cc2nc1SCC(N)=O)OCO3
InChIInChI=1S/C13H12N2O3S/c1-7-2-8-3-10-11(18-6-17-10)4-9(8)15-13(7)19-5-12(14)16/h2-4H,5-6H2,1H3,(H2,14,16)
InChIKeySVRMXCGMDPAFSP-UHFFFAOYSA-N
XLogP1.85
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetyl]amino]acetate
CID 3186993
2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 859832
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 1173473
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 1176252
ethyl 4-methyl-2-[[2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3186988
methyl 2-[[2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetyl]amino]benzoate
CID 1173353
N-(2,4-dimethoxyphenyl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 1173456
N-(2-ethoxyphenyl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 1173474
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 1173508
N-(4-fluorophenyl)-2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]acetamide
CID 1171958
4-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanylmethyl]-1H-quinolin-2-one
CID 3186986
2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]-1-piperidin-1-ylethanone
CID 3208237

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
The IUPAC name of 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide (CID 859501) is 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
The canonical SMILES for 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide is Cc1cc2cc3c(cc2nc1SCC(N)=O)OCO3.
What is the InChIKey of 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
The InChIKey is SVRMXCGMDPAFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-2-8-3-10-11(18-6-17-10)4-9(8)15-13(7)19-5-12(14)16/h2-4H,5-6H2,1H3,(H2,14,16).
What are the key properties of 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide?
2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide has a molecular weight of 276.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 859501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).