2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one

C22H20FN3O2S — CID 11258354

IUPAC2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cc(F)cc(N5CCOCC5)c4)s3)ccc21
InChIInChI=1S/C22H20FN3O2S/c23-15-10-14(11-16(12-15)26-6-8-28-9-7-26)21-13-24-22(29-21)19-5-4-17-18(25-19)2-1-3-20(17)27/h4-5,10-13H,1-3,6-9H2
InChIKeyCFYDVLHELZSAFE-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.37
Rot. Bonds3

About 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one

2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 11258354) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
PubChem CID11258354
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cc(F)cc(N5CCOCC5)c4)s3)ccc21
InChIInChI=1S/C22H20FN3O2S/c23-15-10-14(11-16(12-15)26-6-8-28-9-7-26)21-13-24-22(29-21)19-5-4-17-18(25-19)2-1-3-20(17)27/h4-5,10-13H,1-3,6-9H2
InChIKeyCFYDVLHELZSAFE-UHFFFAOYSA-N
XLogP4.37
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (CID 11258354) is 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(-c3ncc(-c4cc(F)cc(N5CCOCC5)c4)s3)ccc21.
What is the InChIKey of 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is CFYDVLHELZSAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c23-15-10-14(11-16(12-15)26-6-8-28-9-7-26)21-13-24-22(29-21)19-5-4-17-18(25-19)2-1-3-20(17)27/h4-5,10-13H,1-3,6-9H2.
What are the key properties of 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 409.49 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-5-morpholin-4-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 11258354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).