2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C19H22N2O5S — CID 7657892

IUPAC2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C19H22N2O5S/c1-25-16-7-4-8-17(26-2)18(16)19(22)20-14-9-10-15-13(12-14)6-5-11-21(15)27(3,23)24/h4,7-10,12H,5-6,11H2,1-3H3,(H,20,22)
InChIKeyYQXXSIJTKZNQSU-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.67
Rot. Bonds5

About 2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 7657892) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID7657892
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C19H22N2O5S/c1-25-16-7-4-8-17(26-2)18(16)19(22)20-14-9-10-15-13(12-14)6-5-11-21(15)27(3,23)24/h4,7-10,12H,5-6,11H2,1-3H3,(H,20,22)
InChIKeyYQXXSIJTKZNQSU-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657890
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7658004
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
2,6-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 43990338
2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110412866
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-nitrobenzamide
CID 7657972
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 7658024
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30374549

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 7657892) is 2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O.
What is the InChIKey of 2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is YQXXSIJTKZNQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-16-7-4-8-17(26-2)18(16)19(22)20-14-9-10-15-13(12-14)6-5-11-21(15)27(3,23)24/h4,7-10,12H,5-6,11H2,1-3H3,(H,20,22).
What are the key properties of 2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 7657892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).