3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide

C21H26N2O3S — CID 27636882

IUPAC3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc(C)cc(C)c3)cc21
InChIInChI=1S/C21H26N2O3S/c1-4-10-27(25,26)23-9-5-6-17-7-8-19(14-20(17)23)22-21(24)18-12-15(2)11-16(3)13-18/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,22,24)
InChIKeyVROILWNKVIYHDF-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.05
Rot. Bonds5

About 3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide

3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide (PubChem CID 27636882) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
PubChem CID27636882
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc(C)cc(C)c3)cc21
InChIInChI=1S/C21H26N2O3S/c1-4-10-27(25,26)23-9-5-6-17-7-8-19(14-20(17)23)22-21(24)18-12-15(2)11-16(3)13-18/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,22,24)
InChIKeyVROILWNKVIYHDF-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
CID 16835427
N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
CID 16835489
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
2-(4-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
3-bromo-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27656057
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-difluorobenzamide
CID 27656037
3,4-diethoxy-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637193
2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 20963022
2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636830

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide (CID 27636882) is 3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide is CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3cc(C)cc(C)c3)cc21.
What is the InChIKey of 3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
The InChIKey is VROILWNKVIYHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-10-27(25,26)23-9-5-6-17-7-8-19(14-20(17)23)22-21(24)18-12-15(2)11-16(3)13-18/h7-8,11-14H,4-6,9-10H2,1-3H3,(H,22,24).
What are the key properties of 3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide?
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide is sourced from PubChem (CID 27636882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).