N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide

C19H22N2O5S — CID 7586249

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-13(22)21-10-4-5-14-6-7-15(11-17(14)21)20-27(23,24)16-8-9-18(25-2)19(12-16)26-3/h6-9,11-12,20H,4-5,10H2,1-3H3
InChIKeyQOTNYHQSKCUKMX-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.80
Rot. Bonds5

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide (PubChem CID 7586249) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide
PubChem CID7586249
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC
InChIInChI=1S/C19H22N2O5S/c1-13(22)21-10-4-5-14-6-7-15(11-17(14)21)20-27(23,24)16-8-9-18(25-2)19(12-16)26-3/h6-9,11-12,20H,4-5,10H2,1-3H3
InChIKeyQOTNYHQSKCUKMX-UHFFFAOYSA-N
XLogP2.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-Dimethoxybenzenesulphonyl)-1,2,3,4-tetrahydroquinoline
CID 667562
N-(3,4-Dimethylphenyl)-2-[N-(2-phenylethyl)3,4-dimethoxybenzenesulfonamido]acetamide
CID 1208429
1-(3,4-Dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine
CID 1262214
2-[N-(4-Methoxyphenyl)3,4-dimethoxybenzenesulfonamido]-N-(1-phenylethyl)acetamide
CID 2860019
N-(1-Acetyl-1,2,3,4-tetrahydroquinolin-7-YL)-4-ethoxybenzene-1-sulfonamide
CID 7517554
2-(N-(2-cyano-5-(dimethylamino)phenyl)-3,4-dimethoxyphenylsulfonamido)-N,N-diethylacetamide
CID 24760748
7-(3,4-Dihydro-2H-quinolin-1-yl)-3-(3,4-dimethoxy-benzenesulfonyl)-7-oxo-heptanoic acid hydroxyamide
CID 44289489
[1-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonyl)-piperidin-4-yl]-(2,3-dihydro-indol-1-yl)-methanone
CID 645295
N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-methyl-N~1~-(4-methylphenyl)glycinamide
CID 1316104
2-(3,4-dimethoxy-N-p-tolylphenylsulfonamido)-N,N-diethylacetamide
CID 3119056
1-acetyl-N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 7401518
1-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16285116

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide (CID 7586249) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide?
The InChIKey is QOTNYHQSKCUKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13(22)21-10-4-5-14-6-7-15(11-17(14)21)20-27(23,24)16-8-9-18(25-2)19(12-16)26-3/h6-9,11-12,20H,4-5,10H2,1-3H3.
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 7586249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).