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

C20H19FN4S — CID 123807367

IUPAC6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
SMILESCC(C)(C)Sc1ccc2nccc(Nc3ccc4c(F)[nH]nc4c3)c2c1
InChIInChI=1S/C20H19FN4S/c1-20(2,3)26-13-5-7-16-15(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)
InChIKeyHAXVVGHJBSTFSP-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.88
Rot. Bonds3

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

6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine (PubChem CID 123807367) has the molecular formula C20H19FN4S and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
PubChem CID123807367
Molecular FormulaC20H19FN4S
Molecular Weight366.47 g/mol
Exact Mass366.13
IUPAC Name6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
SMILESCC(C)(C)Sc1ccc2nccc(Nc3ccc4c(F)[nH]nc4c3)c2c1
InChIInChI=1S/C20H19FN4S/c1-20(2,3)26-13-5-7-16-15(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)
InChIKeyHAXVVGHJBSTFSP-UHFFFAOYSA-N
XLogP5.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
CID 67468809
N-(3-fluoro-2H-indazol-6-yl)-6-methylsulfonylquinolin-4-amine
CID 67466931
2-hydrazinyl-4-N-(6-methylsulfanylquinolin-4-yl)benzene-1,4-diamine
CID 123640508
6-tert-butylsulfanylquinoxaline
CID 89460320
N-(3,5-difluorophenyl)-6-fluoroquinolin-4-amine
CID 39850789
6-tert-butylsulfanyl-4-[(5-fluoro-1H-indazol-3-yl)amino]quinolin-7-ol
CID 137245045
2-methyl-5-[[6-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 44532338
N-(2,4-dimethylphenyl)-6-methylsulfanylquinolin-4-amine
CID 123394098
N-(2,4-dichlorophenyl)-6-methylsulfanylquinolin-4-amine
CID 123150888
6,7-diethoxy-N-(4-fluorophenyl)quinolin-4-amine
CID 50877941
3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
N-[6-[trimethyl(oxo)-λ6-sulfanyl]quinolin-4-yl]-2,1,3-benzoxadiazol-5-amine
CID 118351978

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine?
The IUPAC name of 6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine (CID 123807367) is 6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine.
What is the SMILES notation for 6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine?
The canonical SMILES for 6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine is CC(C)(C)Sc1ccc2nccc(Nc3ccc4c(F)[nH]nc4c3)c2c1.
What is the InChIKey of 6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine?
The InChIKey is HAXVVGHJBSTFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S/c1-20(2,3)26-13-5-7-16-15(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-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine?
6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine has a molecular weight of 366.47 g/mol, XLogP of 5.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine is sourced from PubChem (CID 123807367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).