3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide

C20H24N2O3S — CID 110303450

IUPAC3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-5-7-16(8-6-15)9-12-20(23)21-18-11-10-17-4-3-13-22(19(17)14-18)26(2,24)25/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3,(H,21,23)
InChIKeyHBOPTMLYKWQLOI-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.28
Rot. Bonds5

About 3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide

3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide (PubChem CID 110303450) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
PubChem CID110303450
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-5-7-16(8-6-15)9-12-20(23)21-18-11-10-17-4-3-13-22(19(17)14-18)26(2,24)25/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3,(H,21,23)
InChIKeyHBOPTMLYKWQLOI-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
CID 110303774
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 43990369
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-methylphenyl)propanamide
CID 110303798
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7586748
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-3-phenylpropanamide
CID 18565145
1-[(4-fluorophenyl)methyl]-3-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)urea
CID 30372783
3-phenyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 18578077
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
CID 110623662
N-(3-hydroxypropyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 7688066
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878
4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
CID 110623667

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide (CID 110303450) is 3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide is Cc1ccc(CCC(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
The InChIKey is HBOPTMLYKWQLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-5-7-16(8-6-15)9-12-20(23)21-18-11-10-17-4-3-13-22(19(17)14-18)26(2,24)25/h5-8,10-11,14H,3-4,9,12-13H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide has a molecular weight of 372.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide is sourced from PubChem (CID 110303450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).