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

C18H13FN2OS — CID 11151481

IUPAC2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cccc(F)c4)s3)ccc21
InChIInChI=1S/C18H13FN2OS/c19-12-4-1-3-11(9-12)17-10-20-18(23-17)15-8-7-13-14(21-15)5-2-6-16(13)22/h1,3-4,7-10H,2,5-6H2
InChIKeyWEWXYODACFNZND-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.53
Rot. Bonds2

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

2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 11151481) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
PubChem CID11151481
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cccc(F)c4)s3)ccc21
InChIInChI=1S/C18H13FN2OS/c19-12-4-1-3-11(9-12)17-10-20-18(23-17)15-8-7-13-14(21-15)5-2-6-16(13)22/h1,3-4,7-10H,2,5-6H2
InChIKeyWEWXYODACFNZND-UHFFFAOYSA-N
XLogP4.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (CID 11151481) is 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(-c3ncc(-c4cccc(F)c4)s3)ccc21.
What is the InChIKey of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is WEWXYODACFNZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-12-4-1-3-11(9-12)17-10-20-18(23-17)15-8-7-13-14(21-15)5-2-6-16(13)22/h1,3-4,7-10H,2,5-6H2.
What are the key properties of 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 324.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 11151481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).