N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide

C20H22N2O3S — CID 4883159

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide
SMILESCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-3-11-22(26(24,25)18-7-5-4-6-8-18)14-17-13-16-10-9-15(2)12-19(16)21-20(17)23/h4-10,12-13H,3,11,14H2,1-2H3,(H,21,23)
InChIKeyAZOCRKBZLNABCD-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.44
Rot. Bonds6

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide (PubChem CID 4883159) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide
PubChem CID4883159
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide
SMILESCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-3-11-22(26(24,25)18-7-5-4-6-8-18)14-17-13-16-10-9-15(2)12-19(16)21-20(17)23/h4-10,12-13H,3,11,14H2,1-2H3,(H,21,23)
InChIKeyAZOCRKBZLNABCD-UHFFFAOYSA-N
XLogP3.44
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide (CID 4883159) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide is CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide?
The InChIKey is AZOCRKBZLNABCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-11-22(26(24,25)18-7-5-4-6-8-18)14-17-13-16-10-9-15(2)12-19(16)21-20(17)23/h4-10,12-13H,3,11,14H2,1-2H3,(H,21,23).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 4883159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).