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

C23H22FN3OS — CID 91508830

IUPAC2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cccc(F)c4C4CCCNC4)s3)ccc21
InChIInChI=1S/C23H22FN3OS/c24-17-6-1-5-16(22(17)14-4-3-11-25-12-14)21-13-26-23(29-21)19-10-9-15-18(27-19)7-2-8-20(15)28/h1,5-6,9-10,13-14,25H,2-4,7-8,11-12H2
InChIKeyWJFVPSUNMXVTOI-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.00
Rot. Bonds3

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

2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 91508830) has the molecular formula C23H22FN3OS and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
PubChem CID91508830
Molecular FormulaC23H22FN3OS
Molecular Weight407.51 g/mol
Exact Mass407.15
IUPAC Name2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cccc(F)c4C4CCCNC4)s3)ccc21
InChIInChI=1S/C23H22FN3OS/c24-17-6-1-5-16(22(17)14-4-3-11-25-12-14)21-13-26-23(29-21)19-10-9-15-18(27-19)7-2-8-20(15)28/h1,5-6,9-10,13-14,25H,2-4,7-8,11-12H2
InChIKeyWJFVPSUNMXVTOI-UHFFFAOYSA-N
XLogP5.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (CID 91508830) is 2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(-c3ncc(-c4cccc(F)c4C4CCCNC4)s3)ccc21.
What is the InChIKey of 2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is WJFVPSUNMXVTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3OS/c24-17-6-1-5-16(22(17)14-4-3-11-25-12-14)21-13-26-23(29-21)19-10-9-15-18(27-19)7-2-8-20(15)28/h1,5-6,9-10,13-14,25H,2-4,7-8,11-12H2.
What are the key properties of 2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 407.51 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-2-piperidin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 91508830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).