N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide

C16H24N2O3S — CID 27620897

IUPACN-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CCC)CCC2
InChIInChI=1S/C16H24N2O3S/c1-3-6-16(19)17-14-9-8-13-7-5-10-18(15(13)12-14)22(20,21)11-4-2/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,19)
InChIKeyPATYOPOYEGPHMZ-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.92
Rot. Bonds6

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

N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide (PubChem CID 27620897) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide.

Molecular Properties

Compound NameN-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
PubChem CID27620897
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CCC)CCC2
InChIInChI=1S/C16H24N2O3S/c1-3-6-16(19)17-14-9-8-13-7-5-10-18(15(13)12-14)22(20,21)11-4-2/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,19)
InChIKeyPATYOPOYEGPHMZ-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27636751
2-(4-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636830
N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
CID 16835489
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
CID 16835427
2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 20963022
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
CID 110623308
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 7586748

Frequently Asked Questions

What is the IUPAC name of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide?
The IUPAC name of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide (CID 27620897) is N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide.
What is the SMILES notation for N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide?
The canonical SMILES for N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide is CCCC(=O)Nc1ccc2c(c1)N(S(=O)(=O)CCC)CCC2.
What is the InChIKey of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide?
The InChIKey is PATYOPOYEGPHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-6-16(19)17-14-9-8-13-7-5-10-18(15(13)12-14)22(20,21)11-4-2/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide?
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide has a molecular weight of 324.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide is sourced from PubChem (CID 27620897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).