N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide

C21H26N2O4S — CID 16927341

IUPACN-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-13-23-20-11-6-17(15-16(20)5-12-21(23)24)22-28(25,26)19-9-7-18(8-10-19)27-14-4-2/h6-11,15,22H,3-5,12-14H2,1-2H3
InChIKeyJDXKJGZQGRTUMW-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.97
Rot. Bonds8

About N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide

N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide (PubChem CID 16927341) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
PubChem CID16927341
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-13-23-20-11-6-17(15-16(20)5-12-21(23)24)22-28(25,26)19-9-7-18(8-10-19)27-14-4-2/h6-11,15,22H,3-5,12-14H2,1-2H3
InChIKeyJDXKJGZQGRTUMW-UHFFFAOYSA-N
XLogP3.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propylbenzenesulfonamide
CID 20933642
4-bromo-N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927461
3-chloro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927292
2,5-dimethoxy-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16828141
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-propoxybenzenesulfonamide
CID 42388579
1-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 16927317
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 71842864
3-chloro-5-fluoro-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 167951208
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 40889564
N-(1-butyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 16927509
N-[1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3,5-dimethylbenzenesulfonamide
CID 71842856
2-bromo-N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 16927295

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide?
The IUPAC name of N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide (CID 16927341) is N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide?
The canonical SMILES for N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)cc1.
What is the InChIKey of N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide?
The InChIKey is JDXKJGZQGRTUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-13-23-20-11-6-17(15-16(20)5-12-21(23)24)22-28(25,26)19-9-7-18(8-10-19)27-14-4-2/h6-11,15,22H,3-5,12-14H2,1-2H3.
What are the key properties of N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide?
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide is sourced from PubChem (CID 16927341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).