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

C24H16F3N3OS — CID 58584432

IUPAC2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cc(-c5cccnc5)cc(C(F)(F)F)c4)s3)ccc21
InChIInChI=1S/C24H16F3N3OS/c25-24(26,27)17-10-15(14-3-2-8-28-12-14)9-16(11-17)22-13-29-23(32-22)20-7-6-18-19(30-20)4-1-5-21(18)31/h2-3,6-13H,1,4-5H2
InChIKeyNFHCKBRWFDXXDS-UHFFFAOYSA-N
MW451.47 g/mol
LogP6.47
Rot. Bonds3

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

2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (PubChem CID 58584432) has the molecular formula C24H16F3N3OS and a molecular weight of 451.47 g/mol. Its IUPAC name is 2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.

Molecular Properties

Compound Name2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
PubChem CID58584432
Molecular FormulaC24H16F3N3OS
Molecular Weight451.47 g/mol
Exact Mass451.10
IUPAC Name2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one
SMILESO=C1CCCc2nc(-c3ncc(-c4cc(-c5cccnc5)cc(C(F)(F)F)c4)s3)ccc21
InChIInChI=1S/C24H16F3N3OS/c25-24(26,27)17-10-15(14-3-2-8-28-12-14)9-16(11-17)22-13-29-23(32-22)20-7-6-18-19(30-20)4-1-5-21(18)31/h2-3,6-13H,1,4-5H2
InChIKeyNFHCKBRWFDXXDS-UHFFFAOYSA-N
XLogP6.47
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.47
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The IUPAC name of 2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one (CID 58584432) is 2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one.
What is the SMILES notation for 2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The canonical SMILES for 2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is O=C1CCCc2nc(-c3ncc(-c4cc(-c5cccnc5)cc(C(F)(F)F)c4)s3)ccc21.
What is the InChIKey of 2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
The InChIKey is NFHCKBRWFDXXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3OS/c25-24(26,27)17-10-15(14-3-2-8-28-12-14)9-16(11-17)22-13-29-23(32-22)20-7-6-18-19(30-20)4-1-5-21(18)31/h2-3,6-13H,1,4-5H2.
What are the key properties of 2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one?
2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one has a molecular weight of 451.47 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-7,8-dihydro-6H-quinolin-5-one is sourced from PubChem (CID 58584432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).