1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine

C22H23N5 — CID 44527057

IUPAC1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine
SMILESCc1[nH]nc2ccc(-c3ccc4nccc(N5CCC(N)CC5)c4c3)cc12
InChIInChI=1S/C22H23N5/c1-14-18-12-15(3-5-21(18)26-25-14)16-2-4-20-19(13-16)22(6-9-24-20)27-10-7-17(23)8-11-27/h2-6,9,12-13,17H,7-8,10-11,23H2,1H3,(H,25,26)
InChIKeyWEWLZFGLYHJVSZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.01
Rot. Bonds2

About 1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine

1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine (PubChem CID 44527057) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine
PubChem CID44527057
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine
SMILESCc1[nH]nc2ccc(-c3ccc4nccc(N5CCC(N)CC5)c4c3)cc12
InChIInChI=1S/C22H23N5/c1-14-18-12-15(3-5-21(18)26-25-14)16-2-4-20-19(13-16)22(6-9-24-20)27-10-7-17(23)8-11-27/h2-6,9,12-13,17H,7-8,10-11,23H2,1H3,(H,25,26)
InChIKeyWEWLZFGLYHJVSZ-UHFFFAOYSA-N
XLogP4.01
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine (CID 44527057) is 1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine is Cc1[nH]nc2ccc(-c3ccc4nccc(N5CCC(N)CC5)c4c3)cc12.
What is the InChIKey of 1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine?
The InChIKey is WEWLZFGLYHJVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-14-18-12-15(3-5-21(18)26-25-14)16-2-4-20-19(13-16)22(6-9-24-20)27-10-7-17(23)8-11-27/h2-6,9,12-13,17H,7-8,10-11,23H2,1H3,(H,25,26).
What are the key properties of 1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine?
1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methyl-2H-indazol-5-yl)quinolin-4-yl]piperidin-4-amine is sourced from PubChem (CID 44527057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).