6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine

C20H19FN4O2S — CID 67468809

IUPAC6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4c(F)[nH]nc4c3)c2c1
InChIInChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-15(11-13)17(8-9-22-16)23-12-4-6-14-18(10-12)24-25-19(14)21/h4-11H,1-3H3,(H,22,23)(H,24,25)
InChIKeyAXZXTVROJAFQLE-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.57
Rot. Bonds3

About 6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine

6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine (PubChem CID 67468809) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
PubChem CID67468809
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
SMILESCC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4c(F)[nH]nc4c3)c2c1
InChIInChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-15(11-13)17(8-9-22-16)23-12-4-6-14-18(10-12)24-25-19(14)21/h4-11H,1-3H3,(H,22,23)(H,24,25)
InChIKeyAXZXTVROJAFQLE-UHFFFAOYSA-N
XLogP4.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine
CID 67466931
6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
CID 123807367
4-[(6-methylsulfonylquinolin-4-yl)amino]phenol
CID 54673836
N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164611784
N-(3-methoxy-4-methylphenyl)-6-methylsulfonylquinolin-4-amine
CID 67465104
N-[4-[(6-fluoroquinolin-4-yl)amino]phenyl]-4-(pyridin-4-ylamino)benzenesulfonamide
CID 157043932
6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
CID 39850740
N-(4-chloro-3-methoxyphenyl)-6-propan-2-ylsulfonylquinolin-4-amine
CID 54674139
4-[(6-fluoroquinolin-4-yl)amino]-N-prop-2-enylbenzenesulfonamide
CID 39850795
N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
CID 134154155
N-[2-(3-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164626479
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine?
The IUPAC name of 6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine (CID 67468809) is 6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine?
The canonical SMILES for 6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine is CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3ccc4c(F)[nH]nc4c3)c2c1.
What is the InChIKey of 6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine?
The InChIKey is AXZXTVROJAFQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-15(11-13)17(8-9-22-16)23-12-4-6-14-18(10-12)24-25-19(14)21/h4-11H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine?
6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine has a molecular weight of 398.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine is sourced from PubChem (CID 67468809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).