N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine

C19H17FN4OS — CID 123163102

IUPACN-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine
SMILESCC(C)S(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
InChIInChI=1S/C19H17FN4OS/c1-11(2)26(25)13-4-6-16-14(10-13)17(7-8-21-16)22-19-15-9-12(20)3-5-18(15)23-24-19/h3-11H,1-2H3,(H2,21,22,23,24)
InChIKeyICQQNXRRSZNEKT-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.51
Rot. Bonds4

About N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine

N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine (PubChem CID 123163102) has the molecular formula C19H17FN4OS and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine
PubChem CID123163102
Molecular FormulaC19H17FN4OS
Molecular Weight368.44 g/mol
Exact Mass368.11
IUPAC NameN-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine
SMILESCC(C)S(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1
InChIInChI=1S/C19H17FN4OS/c1-11(2)26(25)13-4-6-16-14(10-13)17(7-8-21-16)22-19-15-9-12(20)3-5-18(15)23-24-19/h3-11H,1-2H3,(H2,21,22,23,24)
InChIKeyICQQNXRRSZNEKT-UHFFFAOYSA-N
XLogP4.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine?
The IUPAC name of N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine (CID 123163102) is N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine.
What is the SMILES notation for N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine?
The canonical SMILES for N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine is CC(C)S(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1.
What is the InChIKey of N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine?
The InChIKey is ICQQNXRRSZNEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4OS/c1-11(2)26(25)13-4-6-16-14(10-13)17(7-8-21-16)22-19-15-9-12(20)3-5-18(15)23-24-19/h3-11H,1-2H3,(H2,21,22,23,24).
What are the key properties of N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine?
N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine has a molecular weight of 368.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine is sourced from PubChem (CID 123163102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).