4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C22H21N5OS — CID 10237718

IUPAC4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESNc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccc(N3CCCCC3)cc12
InChIInChI=1S/C22H21N5OS/c23-20-16-12-15(27-10-2-1-3-11-27)4-5-17(16)25-21(28)19(20)18-13-29-22(26-18)14-6-8-24-9-7-14/h4-9,12-13H,1-3,10-11H2,(H3,23,25,28)
InChIKeyZSDNXKRZKUHCBB-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.29
Rot. Bonds3

About 4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 10237718) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID10237718
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESNc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccc(N3CCCCC3)cc12
InChIInChI=1S/C22H21N5OS/c23-20-16-12-15(27-10-2-1-3-11-27)4-5-17(16)25-21(28)19(20)18-13-29-22(26-18)14-6-8-24-9-7-14/h4-9,12-13H,1-3,10-11H2,(H3,23,25,28)
InChIKeyZSDNXKRZKUHCBB-UHFFFAOYSA-N
XLogP4.29
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 10237718) is 4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is Nc1c(-c2csc(-c3ccncc3)n2)c(=O)[nH]c2ccc(N3CCCCC3)cc12.
What is the InChIKey of 4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is ZSDNXKRZKUHCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c23-20-16-12-15(27-10-2-1-3-11-27)4-5-17(16)25-21(28)19(20)18-13-29-22(26-18)14-6-8-24-9-7-14/h4-9,12-13H,1-3,10-11H2,(H3,23,25,28).
What are the key properties of 4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 403.51 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-piperidin-1-yl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 10237718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).