N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C23H28N4O5S — CID 5307186

IUPACN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C23H28N4O5S/c1-25(33(30,31)20-7-8-21-17(14-20)6-9-22(28)24-21)16-23(29)27-12-10-26(11-13-27)18-4-3-5-19(15-18)32-2/h3-5,7-8,14-15H,6,9-13,16H2,1-2H3,(H,24,28)
InChIKeyBZDVVGSCPWXKNR-UHFFFAOYSA-N
MW472.57 g/mol
LogP1.55
Rot. Bonds6

About N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 5307186) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID5307186
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC NameN-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C23H28N4O5S/c1-25(33(30,31)20-7-8-21-17(14-20)6-9-22(28)24-21)16-23(29)27-12-10-26(11-13-27)18-4-3-5-19(15-18)32-2/h3-5,7-8,14-15H,6,9-13,16H2,1-2H3,(H,24,28)
InChIKeyBZDVVGSCPWXKNR-UHFFFAOYSA-N
XLogP1.55
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
CID 141759425
N-(4-methoxyphenyl)-N-methyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 3239722
N-Cyclohexyl-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 15990893
1-Cyclobutanecarbonyl-N-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 16031805
N-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3638189
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 4149969
2-{4-[(4-isopropylphenyl)sulfonyl]piperazin-1-yl}-N-(3-methoxyphenyl)acetamide
CID 3239410
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 3241425
N~1~-[2-(3,4-diethoxyphenyl)ethyl]-N~2~-methyl-N~2~-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]glycinamide
CID 3241444
6-{[(3-methoxyphenyl)amino]sulfonyl}-N-(3-methylbutyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 3242830
2-ethylsulfonyl-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4361320
N-(4-methoxyphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 5309759

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 5307186) is N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is COc1cccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1.
What is the InChIKey of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is BZDVVGSCPWXKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-25(33(30,31)20-7-8-21-17(14-20)6-9-22(28)24-21)16-23(29)27-12-10-26(11-13-27)18-4-3-5-19(15-18)32-2/h3-5,7-8,14-15H,6,9-13,16H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 472.57 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 5307186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).