N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine

C18H18N2O3S — CID 67465104

IUPACN-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
SMILESCOc1cc(Nc2ccnc3ccc(S(C)(=O)=O)cc23)ccc1C
InChIInChI=1S/C18H18N2O3S/c1-12-4-5-13(10-18(12)23-2)20-17-8-9-19-16-7-6-14(11-15(16)17)24(3,21)22/h4-11H,1-3H3,(H,19,20)
InChIKeyYWQITTRQHOSNBP-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.70
Rot. Bonds4

About N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine

N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine (PubChem CID 67465104) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
PubChem CID67465104
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
SMILESCOc1cc(Nc2ccnc3ccc(S(C)(=O)=O)cc23)ccc1C
InChIInChI=1S/C18H18N2O3S/c1-12-4-5-13(10-18(12)23-2)20-17-8-9-19-16-7-6-14(11-15(16)17)24(3,21)22/h4-11H,1-3H3,(H,19,20)
InChIKeyYWQITTRQHOSNBP-UHFFFAOYSA-N
XLogP3.70
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine
CID 54674139
N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine
CID 67466931
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 22732263
4-methoxyquinoline-6-sulfonamide
CID 170007480
4-bromo-6-methylsulfonylquinoline
CID 131700001
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
2-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 123302572
6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
CID 67468809
4-(3-methoxyanilino)-6-methylsulfonylquinoline-2-carboxamide
CID 44564897
1-ethyl-3-[[4-(3-hydroxy-5-methoxyanilino)quinolin-6-yl]-methyl-oxo-λ6-sulfanylidene]urea
CID 42641377

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine?
The IUPAC name of N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine (CID 67465104) is N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine.
What is the SMILES notation for N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine?
The canonical SMILES for N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine is COc1cc(Nc2ccnc3ccc(S(C)(=O)=O)cc23)ccc1C.
What is the InChIKey of N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine?
The InChIKey is YWQITTRQHOSNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-4-5-13(10-18(12)23-2)20-17-8-9-19-16-7-6-14(11-15(16)17)24(3,21)22/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine?
N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine has a molecular weight of 342.42 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine is sourced from PubChem (CID 67465104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).