2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one

C23H22FN3OS — CID 11177263

IUPAC2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cc(F)cc(N5CCCCC5)c4)s3)ccc21
InChIInChI=1S/C23H22FN3OS/c24-16-11-15(12-17(13-16)27-9-2-1-3-10-27)22-14-25-23(29-22)20-8-7-18-19(26-20)5-4-6-21(18)28/h7-8,11-14H,1-6,9-10H2
InChIKeyWPCSCKGLGSXSIX-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.52
Rot. Bonds3

About 2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one

2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 11177263) has the molecular formula C23H22FN3OS and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
PubChem CID11177263
Molecular FormulaC23H22FN3OS
Molecular Weight407.51 g/mol
Exact Mass407.15
IUPAC Name2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cc(F)cc(N5CCCCC5)c4)s3)ccc21
InChIInChI=1S/C23H22FN3OS/c24-16-11-15(12-17(13-16)27-9-2-1-3-10-27)22-14-25-23(29-22)20-8-7-18-19(26-20)5-4-6-21(18)28/h7-8,11-14H,1-6,9-10H2
InChIKeyWPCSCKGLGSXSIX-UHFFFAOYSA-N
XLogP5.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (CID 11177263) is 2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(-c3ncc(-c4cc(F)cc(N5CCCCC5)c4)s3)ccc21.
What is the InChIKey of 2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is WPCSCKGLGSXSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3OS/c24-16-11-15(12-17(13-16)27-9-2-1-3-10-27)22-14-25-23(29-22)20-8-7-18-19(26-20)5-4-6-21(18)28/h7-8,11-14H,1-6,9-10H2.
What are the key properties of 2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 407.51 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-5-piperidin-1-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 11177263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).