6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide

C22H11Cl2F7N4O — CID 118678559

IUPAC6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
SMILESO=C(Nc1cn(Cc2ccc(F)cc2)nc1C(F)(F)F)c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C22H11Cl2F7N4O/c23-11-5-13-14(7-17(21(26,27)28)33-18(13)15(24)6-11)20(36)32-16-9-35(34-19(16)22(29,30)31)8-10-1-3-12(25)4-2-10/h1-7,9H,8H2,(H,32,36)
InChIKeyONISOOWUDYISCH-UHFFFAOYSA-N
MW551.25 g/mol
LogP7.22
Rot. Bonds4

About 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide

6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide (PubChem CID 118678559) has the molecular formula C22H11Cl2F7N4O and a molecular weight of 551.25 g/mol. Its IUPAC name is 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
PubChem CID118678559
Molecular FormulaC22H11Cl2F7N4O
Molecular Weight551.25 g/mol
Exact Mass550.02
IUPAC Name6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
SMILESO=C(Nc1cn(Cc2ccc(F)cc2)nc1C(F)(F)F)c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C22H11Cl2F7N4O/c23-11-5-13-14(7-17(21(26,27)28)33-18(13)15(24)6-11)20(36)32-16-9-35(34-19(16)22(29,30)31)8-10-1-3-12(25)4-2-10/h1-7,9H,8H2,(H,32,36)
InChIKeyONISOOWUDYISCH-UHFFFAOYSA-N
XLogP7.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.25
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-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

6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171277
4-[[6-bromo-2-(trifluoromethyl)quinoline-4-carbonyl]amino]-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 118678577
6,8-dichloro-N-[3,5-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171304
6,8-dichloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 118171181
4-N-[1-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118688103
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19409059
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19409129
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2,5-dimethylbenzamide
CID 19409217
2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347171
1-[(4-fluorophenyl)methyl]-4-nitro-3-(trifluoromethyl)pyrazole
CID 118678553
2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407398

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide?
The IUPAC name of 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide (CID 118678559) is 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide?
The canonical SMILES for 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide is O=C(Nc1cn(Cc2ccc(F)cc2)nc1C(F)(F)F)c1cc(C(F)(F)F)nc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide?
The InChIKey is ONISOOWUDYISCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11Cl2F7N4O/c23-11-5-13-14(7-17(21(26,27)28)33-18(13)15(24)6-11)20(36)32-16-9-35(34-19(16)22(29,30)31)8-10-1-3-12(25)4-2-10/h1-7,9H,8H2,(H,32,36).
What are the key properties of 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide?
6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide has a molecular weight of 551.25 g/mol, XLogP of 7.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide is sourced from PubChem (CID 118678559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).