2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

C17H23FN2O3S — CID 46444615

IUPAC2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C17H23FN2O3S/c1-12-8-13-4-3-6-20(16(13)14(18)9-12)10-15(21)19-17(2)5-7-24(22,23)11-17/h8-9H,3-7,10-11H2,1-2H3,(H,19,21)
InChIKeyWAKUBTGQPNOIBL-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.58
Rot. Bonds3

About 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (PubChem CID 46444615) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
PubChem CID46444615
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)NC1(C)CCS(=O)(=O)C1
InChIInChI=1S/C17H23FN2O3S/c1-12-8-13-4-3-6-20(16(13)14(18)9-12)10-15(21)19-17(2)5-7-24(22,23)11-17/h8-9H,3-7,10-11H2,1-2H3,(H,19,21)
InChIKeyWAKUBTGQPNOIBL-UHFFFAOYSA-N
XLogP1.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide (CID 46444615) is 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is Cc1cc(F)c2c(c1)CCCN2CC(=O)NC1(C)CCS(=O)(=O)C1.
What is the InChIKey of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is WAKUBTGQPNOIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-12-8-13-4-3-6-20(16(13)14(18)9-12)10-15(21)19-17(2)5-7-24(22,23)11-17/h8-9H,3-7,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide?
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 46444615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).