2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one

C25H20FN3OS — CID 11711646

IUPAC2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
SMILESCC1(C)CCc2nc(-c3ncc(-c4cc(F)cc(-c5ccncc5)c4)s3)ccc2C1=O
InChIInChI=1S/C25H20FN3OS/c1-25(2)8-5-20-19(23(25)30)3-4-21(29-20)24-28-14-22(31-24)17-11-16(12-18(26)13-17)15-6-9-27-10-7-15/h3-4,6-7,9-14H,5,8H2,1-2H3
InChIKeyCPQWAQQYWVPPLL-UHFFFAOYSA-N
MW429.52 g/mol
LogP6.23
Rot. Bonds3

About 2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one

2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one (PubChem CID 11711646) has the molecular formula C25H20FN3OS and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one.

Molecular Properties

Compound Name2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
PubChem CID11711646
Molecular FormulaC25H20FN3OS
Molecular Weight429.52 g/mol
Exact Mass429.13
IUPAC Name2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one
SMILESCC1(C)CCc2nc(-c3ncc(-c4cc(F)cc(-c5ccncc5)c4)s3)ccc2C1=O
InChIInChI=1S/C25H20FN3OS/c1-25(2)8-5-20-19(23(25)30)3-4-21(29-20)24-28-14-22(31-24)17-11-16(12-18(26)13-17)15-6-9-27-10-7-15/h3-4,6-7,9-14H,5,8H2,1-2H3
InChIKeyCPQWAQQYWVPPLL-UHFFFAOYSA-N
XLogP6.23
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.52
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The IUPAC name of 2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one (CID 11711646) is 2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one.
What is the SMILES notation for 2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The canonical SMILES for 2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one is CC1(C)CCc2nc(-c3ncc(-c4cc(F)cc(-c5ccncc5)c4)s3)ccc2C1=O.
What is the InChIKey of 2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one?
The InChIKey is CPQWAQQYWVPPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3OS/c1-25(2)8-5-20-19(23(25)30)3-4-21(29-20)24-28-14-22(31-24)17-11-16(12-18(26)13-17)15-6-9-27-10-7-15/h3-4,6-7,9-14H,5,8H2,1-2H3.
What are the key properties of 2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one?
2-[5-(3-fluoro-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one has a molecular weight of 429.52 g/mol, XLogP of 6.23, 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-5-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]-6,6-dimethyl-7,8-dihydroquinolin-5-one is sourced from PubChem (CID 11711646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).