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

C23H16FN3OS — CID 91162501

IUPAC2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cccc(F)c4-c4cccnc4)s3)ccc21
InChIInChI=1S/C23H16FN3OS/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/h1,3-6,9-13H,2,7-8H2
InChIKeyIIENFURNQVBDHH-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.59
Rot. Bonds3

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

2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 91162501) has the molecular formula C23H16FN3OS and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
PubChem CID91162501
Molecular FormulaC23H16FN3OS
Molecular Weight401.47 g/mol
Exact Mass401.10
IUPAC Name2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cccc(F)c4-c4cccnc4)s3)ccc21
InChIInChI=1S/C23H16FN3OS/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/h1,3-6,9-13H,2,7-8H2
InChIKeyIIENFURNQVBDHH-UHFFFAOYSA-N
XLogP5.59
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.59
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-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (CID 91162501) is 2-[5-(3-fluoro-2-pyridin-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-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(-c3ncc(-c4cccc(F)c4-c4cccnc4)s3)ccc21.
What is the InChIKey of 2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is IIENFURNQVBDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3OS/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/h1,3-6,9-13H,2,7-8H2.
What are the key properties of 2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
2-[5-(3-fluoro-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 401.47 g/mol, XLogP of 5.59, 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-2-pyridin-3-ylphenyl)-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 91162501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).