4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide

C19H19ClN2O4S — CID 118724938

IUPAC4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc2[nH]c(C)c(-c3ccc(S(=O)(=O)N(C)C)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C19H19ClN2O4S/c1-11-18(12-5-7-13(8-6-12)27(24,25)22(2)3)19(23)14-9-15(20)17(26-4)10-16(14)21-11/h5-10H,1-4H3,(H,21,23)
InChIKeyONSMRKQSWOWUKV-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.42
Rot. Bonds4

About 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide

4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 118724938) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID118724938
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide
SMILESCOc1cc2[nH]c(C)c(-c3ccc(S(=O)(=O)N(C)C)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C19H19ClN2O4S/c1-11-18(12-5-7-13(8-6-12)27(24,25)22(2)3)19(23)14-9-15(20)17(26-4)10-16(14)21-11/h5-10H,1-4H3,(H,21,23)
InChIKeyONSMRKQSWOWUKV-UHFFFAOYSA-N
XLogP3.42
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide with MolForge

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Related Compounds

6-chloro-3-[4-(dimethylamino)phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 118724937
6-chloro-3-(furan-3-yl)-7-methoxy-2-methyl-1H-quinolin-4-one
CID 118724924
6-chloro-3-[4-[2-fluoro-4-(trifluoromethyl)phenyl]phenyl]-7-methoxy-2-methyl-1H-quinolin-4-one
CID 170432317
6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one
CID 134910353
6-fluoro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
CID 86573311
1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide
CID 19771137
N-(3-chloro-4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
CID 99629001
4-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzoic acid
CID 53228823
3-chloro-2-methoxy-6-methyl-9H-carbazole
CID 155477341
4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide
CID 121326233
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
3-(4-chloro-3-methoxyphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639321

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide (CID 118724938) is 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide is COc1cc2[nH]c(C)c(-c3ccc(S(=O)(=O)N(C)C)cc3)c(=O)c2cc1Cl.
What is the InChIKey of 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is ONSMRKQSWOWUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-11-18(12-5-7-13(8-6-12)27(24,25)22(2)3)19(23)14-9-15(20)17(26-4)10-16(14)21-11/h5-10H,1-4H3,(H,21,23).
What are the key properties of 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide?
4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 406.89 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 118724938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).