4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

C17H14F3N3O2S — CID 70463970

IUPAC4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCCCN(C(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O)c1nccs1
InChIInChI=1S/C17H14F3N3O2S/c1-2-7-23(16-21-6-8-26-16)15(25)11-9-22-13-10(14(11)24)4-3-5-12(13)17(18,19)20/h3-6,8-9H,2,7H2,1H3,(H,22,24)
InChIKeyHFUYYNLGWYEQKW-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.06
Rot. Bonds4

About 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide

4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (PubChem CID 70463970) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
PubChem CID70463970
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
SMILESCCCN(C(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O)c1nccs1
InChIInChI=1S/C17H14F3N3O2S/c1-2-7-23(16-21-6-8-26-16)15(25)11-9-22-13-10(14(11)24)4-3-5-12(13)17(18,19)20/h3-6,8-9H,2,7H2,1H3,(H,22,24)
InChIKeyHFUYYNLGWYEQKW-UHFFFAOYSA-N
XLogP4.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-acetamidopropyl)-4-oxo-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 70462074
[3-[ethyl(1,3-thiazol-2-yl)carbamoyl]-4-oxo-8-(trifluoromethyl)-1H-quinolin-2-yl] propanoate
CID 70450695
4-oxo-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589550
4-oxo-N-(1,3-thiazol-2-yl)-N-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 70536916
2-[2-oxo-3-[propyl(1,3-thiazol-2-yl)carbamoyl]-1-pyridinyl]acetic acid
CID 166277210
1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 82391412
N-[2-(dimethylamino)ethyl]-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1H-indole-3-carboxamide
CID 71778781
N-(2,4-ditert-butyl-5-hydroxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 53246411
3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
CID 102537545
ethane;3-ethyl-7-(trifluoromethyl)-1H-indole
CID 177016084
N-(2-methoxyphenyl)-4-oxo-8-(trifluoromethyl)-1H-quinoline-3-carboxamide
CID 42589534
[4-oxo-3-(1,3-thiazol-2-ylcarbamoyl)-8-(trifluoromethyl)-1H-quinolin-2-yl] 2-benzylidenepentanoate
CID 151079146

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide (CID 70463970) is 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is CCCN(C(=O)c1c[nH]c2c(C(F)(F)F)cccc2c1=O)c1nccs1.
What is the InChIKey of 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
The InChIKey is HFUYYNLGWYEQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-2-7-23(16-21-6-8-26-16)15(25)11-9-22-13-10(14(11)24)4-3-5-12(13)17(18,19)20/h3-6,8-9H,2,7H2,1H3,(H,22,24).
What are the key properties of 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide?
4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-propyl-N-(1,3-thiazol-2-yl)-8-(trifluoromethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 70463970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).