3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one

C18H19N3OS — CID 166457847

IUPAC3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1Cc1cnc(N2CCCCC2)s1
InChIInChI=1S/C18H19N3OS/c22-17-14(10-13-6-2-3-7-16(13)20-17)11-15-12-19-18(23-15)21-8-4-1-5-9-21/h2-3,6-7,10,12H,1,4-5,8-9,11H2,(H,20,22)
InChIKeyRCKHDTDJQKEBPN-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.57
Rot. Bonds3

About 3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one

3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one (PubChem CID 166457847) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one
PubChem CID166457847
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1Cc1cnc(N2CCCCC2)s1
InChIInChI=1S/C18H19N3OS/c22-17-14(10-13-6-2-3-7-16(13)20-17)11-15-12-19-18(23-15)21-8-4-1-5-9-21/h2-3,6-7,10,12H,1,4-5,8-9,11H2,(H,20,22)
InChIKeyRCKHDTDJQKEBPN-UHFFFAOYSA-N
XLogP3.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one (CID 166457847) is 3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1Cc1cnc(N2CCCCC2)s1.
What is the InChIKey of 3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one?
The InChIKey is RCKHDTDJQKEBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-17-14(10-13-6-2-3-7-16(13)20-17)11-15-12-19-18(23-15)21-8-4-1-5-9-21/h2-3,6-7,10,12H,1,4-5,8-9,11H2,(H,20,22).
What are the key properties of 3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one?
3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one has a molecular weight of 325.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166457847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).