N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide

C19H22N4O4S — CID 24992466

IUPACN-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide
SMILESCOc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1
InChIInChI=1S/C19H22N4O4S/c1-27-14-10-9-13(6-5-11-24)17(12-14)22-18-19(23-28(2,25)26)21-16-8-4-3-7-15(16)20-18/h3-4,7-10,12,24H,5-6,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYHDXBPYQYJDDGG-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.68
Rot. Bonds8

About N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide

N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide (PubChem CID 24992466) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide
PubChem CID24992466
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide
SMILESCOc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1
InChIInChI=1S/C19H22N4O4S/c1-27-14-10-9-13(6-5-11-24)17(12-14)22-18-19(23-28(2,25)26)21-16-8-4-3-7-15(16)20-18/h3-4,7-10,12,24H,5-6,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyYHDXBPYQYJDDGG-UHFFFAOYSA-N
XLogP2.68
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-4-methylquinolin-2-amine
CID 910456
3-[[2-[4-(4-Fluorophenyl)piperazin-1-yl]-7-methoxyquinolin-3-yl]methylamino]propan-1-ol
CID 44169959
2-[(4-Methoxyphenyl)amino]-4-methylquinolin-7-ol
CID 135472797
7-Methoxy-2-(3-methoxyanilino)-3-quinolinecarbonitrile
CID 3482999
2-[(4-Methoxyphenyl)amino]-4-methylquinolin-5-ol
CID 135472782
3-N-benzyl-2-N-butyl-6-methoxyquinoxaline-2,3-diamine
CID 86055675
N-butyl-7-methoxy-3-phenylquinoxalin-2-amine
CID 118726543
N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]-3-methylsulfanylpropane-1-sulfonamide
CID 24992143
N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 24992145
N-[3-[5-methoxy-2-(2-methylsulfonylethyl)anilino]quinoxalin-2-yl]propane-1-sulfonamide
CID 24992147
N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]propane-1-sulfonamide
CID 24992465
N-[3-[2-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]cyclohexanesulfonamide
CID 24992467

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide?
The IUPAC name of N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide (CID 24992466) is N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide is COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide?
The InChIKey is YHDXBPYQYJDDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-27-14-10-9-13(6-5-11-24)17(12-14)22-18-19(23-28(2,25)26)21-16-8-4-3-7-15(16)20-18/h3-4,7-10,12,24H,5-6,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide?
N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide has a molecular weight of 402.48 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-hydroxypropyl)-5-methoxyanilino]quinoxalin-2-yl]methanesulfonamide is sourced from PubChem (CID 24992466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).