N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine

C17H13FN4O2S — CID 67466931

IUPACN-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3ccc4c(F)[nH]nc4c3)c2c1
InChIInChI=1S/C17H13FN4O2S/c1-25(23,24)11-3-5-14-13(9-11)15(6-7-19-14)20-10-2-4-12-16(8-10)21-22-17(12)18/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyJHDHUVDBAFNZNH-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.40
Rot. Bonds3

About N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine

N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine (PubChem CID 67466931) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine
PubChem CID67466931
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC NameN-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine
SMILESCS(=O)(=O)c1ccc2nccc(Nc3ccc4c(F)[nH]nc4c3)c2c1
InChIInChI=1S/C17H13FN4O2S/c1-25(23,24)11-3-5-14-13(9-11)15(6-7-19-14)20-10-2-4-12-16(8-10)21-22-17(12)18/h2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyJHDHUVDBAFNZNH-UHFFFAOYSA-N
XLogP3.40
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-fluoro-2H-indazol-6-yl)-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

6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
CID 67468809
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
CID 123807367
N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465104
N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164611784
N-[2-(3-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164626479
7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine
CID 164620647
4-bromo-6-methylsulfonylquinoline
CID 131700001
6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
CID 39850740
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
CID 157043932
3-ethyl-5-methylsulfonyl-2H-indazole
CID 123885743
N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine
CID 54674139

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine?
The IUPAC name of N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine (CID 67466931) is N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine.
What is the SMILES notation for N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine?
The canonical SMILES for N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine is CS(=O)(=O)c1ccc2nccc(Nc3ccc4c(F)[nH]nc4c3)c2c1.
What is the InChIKey of N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine?
The InChIKey is JHDHUVDBAFNZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c1-25(23,24)11-3-5-14-13(9-11)15(6-7-19-14)20-10-2-4-12-16(8-10)21-22-17(12)18/h2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine?
N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine has a molecular weight of 356.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine is sourced from PubChem (CID 67466931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).