N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride

C17H18ClN3O3S — CID 22417959

IUPACN-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride
SMILESCOc1cccc(Nc2ccnc3c(NS(C)(=O)=O)cccc23)c1.Cl
InChIInChI=1S/C17H17N3O3S.ClH/c1-23-13-6-3-5-12(11-13)19-15-9-10-18-17-14(15)7-4-8-16(17)20-24(2,21)22;/h3-11,20H,1-2H3,(H,18,19);1H
InChIKeyZYTXPXMELRAYHG-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.78
Rot. Bonds5

About N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride

N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride (PubChem CID 22417959) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride
PubChem CID22417959
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC NameN-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride
SMILESCOc1cccc(Nc2ccnc3c(NS(C)(=O)=O)cccc23)c1.Cl
InChIInChI=1S/C17H17N3O3S.ClH/c1-23-13-6-3-5-12(11-13)19-15-9-10-18-17-14(15)7-4-8-16(17)20-24(2,21)22;/h3-11,20H,1-2H3,(H,18,19);1H
InChIKeyZYTXPXMELRAYHG-UHFFFAOYSA-N
XLogP3.78
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride
CID 22417967
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
8-hydroxy-N-(3-methoxyphenyl)quinoline-4-sulfonamide
CID 11158687
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
7-methoxy-N-(3-methylphenyl)quinolin-4-amine
CID 50877899
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
N-[3-(4-methoxyphenoxy)phenyl]methanesulfonamide
CID 22168206
6,7-dimethoxy-N-(3-phenoxyphenyl)quinolin-4-amine;N-(3-phenoxyphenyl)quinolin-4-amine;dihydrochloride
CID 67730198
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
2-fluoro-4-[(8-methylsulfonylquinolin-4-yl)amino]phenol
CID 118339789

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride (CID 22417959) is N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride is COc1cccc(Nc2ccnc3c(NS(C)(=O)=O)cccc23)c1.Cl.
What is the InChIKey of N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride?
The InChIKey is ZYTXPXMELRAYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S.ClH/c1-23-13-6-3-5-12(11-13)19-15-9-10-18-17-14(15)7-4-8-16(17)20-24(2,21)22;/h3-11,20H,1-2H3,(H,18,19);1H.
What are the key properties of N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride?
N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride has a molecular weight of 379.87 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyanilino)quinolin-8-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 22417959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).