3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C29H24FN3OS — CID 73346218

IUPAC3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1cc(-c2ccc(F)cc2)c2ncccc2c1
InChIInChI=1S/C29H24FN3OS/c1-29(2,27(34)33-28-32-15-16-35-28)25(20-7-4-3-5-8-20)22-17-21-9-6-14-31-26(21)24(18-22)19-10-12-23(30)13-11-19/h3-18,25H,1-2H3,(H,32,33,34)
InChIKeyRSRARXFRBVGHDW-UHFFFAOYSA-N
MW481.60 g/mol
LogP7.29
Rot. Bonds6

About 3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 73346218) has the molecular formula C29H24FN3OS and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID73346218
Molecular FormulaC29H24FN3OS
Molecular Weight481.60 g/mol
Exact Mass481.16
IUPAC Name3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1cc(-c2ccc(F)cc2)c2ncccc2c1
InChIInChI=1S/C29H24FN3OS/c1-29(2,27(34)33-28-32-15-16-35-28)25(20-7-4-3-5-8-20)22-17-21-9-6-14-31-26(21)24(18-22)19-10-12-23(30)13-11-19/h3-18,25H,1-2H3,(H,32,33,34)
InChIKeyRSRARXFRBVGHDW-UHFFFAOYSA-N
XLogP7.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 73346218) is 3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1cc(-c2ccc(F)cc2)c2ncccc2c1.
What is the InChIKey of 3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RSRARXFRBVGHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3OS/c1-29(2,27(34)33-28-32-15-16-35-28)25(20-7-4-3-5-8-20)22-17-21-9-6-14-31-26(21)24(18-22)19-10-12-23(30)13-11-19/h3-18,25H,1-2H3,(H,32,33,34).
What are the key properties of 3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 481.60 g/mol, XLogP of 7.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(4-fluorophenyl)quinolin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 73346218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).