N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

C19H21FN2O3S — CID 55881140

IUPACN-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCc1cc(F)c2c(c1)CCCN2C(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21FN2O3S/c1-14-11-15-7-6-10-22(19(15)17(20)12-14)18(23)13-21(2)26(24,25)16-8-4-3-5-9-16/h3-5,8-9,11-12H,6-7,10,13H2,1-2H3
InChIKeyDQTDEZGELZDDQJ-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.73
Rot. Bonds4

About N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 55881140) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID55881140
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCc1cc(F)c2c(c1)CCCN2C(=O)CN(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H21FN2O3S/c1-14-11-15-7-6-10-22(19(15)17(20)12-14)18(23)13-21(2)26(24,25)16-8-4-3-5-9-16/h3-5,8-9,11-12H,6-7,10,13H2,1-2H3
InChIKeyDQTDEZGELZDDQJ-UHFFFAOYSA-N
XLogP2.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

4-cyano-N-[2-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55632490
8-fluoro-1-(3-fluorophenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 39846351
N-[2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 55623713
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 2412874
N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 18189914
2-fluoro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60627449
3-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3-methyl-4H-isochromen-1-one
CID 55881647
N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2441689
N-benzyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 8004672
N-tert-butyl-2-chloro-5-(8-fluoro-6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)benzenesulfonamide
CID 55768745
N-methyl-N-[2-[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4991946
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (CID 55881140) is N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is Cc1cc(F)c2c(c1)CCCN2C(=O)CN(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is DQTDEZGELZDDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-14-11-15-7-6-10-22(19(15)17(20)12-14)18(23)13-21(2)26(24,25)16-8-4-3-5-9-16/h3-5,8-9,11-12H,6-7,10,13H2,1-2H3.
What are the key properties of N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 376.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 55881140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).