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

C18H20FN3O3S — CID 37383510

IUPAC2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H20FN3O3S/c1-12-8-13-4-3-7-22(18(13)16(19)9-12)11-17(23)21-14-5-2-6-15(10-14)26(20,24)25/h2,5-6,8-10H,3-4,7,11H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyJLZCCPYKQXCXLP-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.17
Rot. Bonds4

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

2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide (PubChem CID 37383510) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide
PubChem CID37383510
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H20FN3O3S/c1-12-8-13-4-3-7-22(18(13)16(19)9-12)11-17(23)21-14-5-2-6-15(10-14)26(20,24)25/h2,5-6,8-10H,3-4,7,11H2,1H3,(H,21,23)(H2,20,24,25)
InChIKeyJLZCCPYKQXCXLP-UHFFFAOYSA-N
XLogP2.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
CID 37383481
3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 34009774
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 37383592
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 37383751
2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 37383606
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
CID 78871449
N-cyclopropyl-3-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 43065986
N-(3-fluoro-5-sulfamoylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 61132417
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide;hydrochloride
CID 119465414
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46444615
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 37383476
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 37383582

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide (CID 37383510) is 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide is Cc1cc(F)c2c(c1)CCCN2CC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is JLZCCPYKQXCXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-12-8-13-4-3-7-22(18(13)16(19)9-12)11-17(23)21-14-5-2-6-15(10-14)26(20,24)25/h2,5-6,8-10H,3-4,7,11H2,1H3,(H,21,23)(H2,20,24,25).
What are the key properties of 2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide?
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 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-sulfamoylphenyl)acetamide is sourced from PubChem (CID 37383510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).