4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C20H24N2O3S — CID 27637203

IUPAC4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C20H24N2O3S/c1-3-13-26(24,25)22-12-4-5-17-14-18(10-11-19(17)22)21-20(23)16-8-6-15(2)7-9-16/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23)
InChIKeyUEGJJNLGSKSNRJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.74
Rot. Bonds5

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

4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 27637203) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID27637203
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C20H24N2O3S/c1-3-13-26(24,25)22-12-4-5-17-14-18(10-11-19(17)22)21-20(23)16-8-6-15(2)7-9-16/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23)
InChIKeyUEGJJNLGSKSNRJ-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637193
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
4-chloro-3-nitro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834956
2,5-dichloro-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 16834941
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-methylphenyl)propanamide
CID 110303798
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-fluorobenzamide
CID 27656132
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
1-(oxolan-2-ylmethyl)-3-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)urea
CID 91812719
1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955953
3,4-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16825758

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 27637203) is 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is UEGJJNLGSKSNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-13-26(24,25)22-12-4-5-17-14-18(10-11-19(17)22)21-20(23)16-8-6-15(2)7-9-16/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23).
What are the key properties of 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 27637203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).