8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C22H13ClF3N3O — CID 2220619

IUPAC8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccncc2)nc2c(Cl)cccc12
InChIInChI=1S/C22H13ClF3N3O/c23-17-6-3-4-14-15(12-19(28-20(14)17)13-8-10-27-11-9-13)21(30)29-18-7-2-1-5-16(18)22(24,25)26/h1-12H,(H,29,30)
InChIKeyJZYQOVGPGDQPKA-UHFFFAOYSA-N
MW427.81 g/mol
LogP6.22
Rot. Bonds3

About 8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide

8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 2220619) has the molecular formula C22H13ClF3N3O and a molecular weight of 427.81 g/mol. Its IUPAC name is 8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID2220619
Molecular FormulaC22H13ClF3N3O
Molecular Weight427.81 g/mol
Exact Mass427.07
IUPAC Name8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccncc2)nc2c(Cl)cccc12
InChIInChI=1S/C22H13ClF3N3O/c23-17-6-3-4-14-15(12-19(28-20(14)17)13-8-10-27-11-9-13)21(30)29-18-7-2-1-5-16(18)22(24,25)26/h1-12H,(H,29,30)
InChIKeyJZYQOVGPGDQPKA-UHFFFAOYSA-N
XLogP6.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.81
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-(3-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 3105380
8-chloro-2-(2-methylphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 17371730
2-(2-chlorophenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid
CID 3991118
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220779
(8-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1261917
8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide
CID 5172981
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
8-chloro-2-(4-ethylphenyl)-N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]quinoline-4-carboxamide
CID 17310976

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 2220619) is 8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccncc2)nc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is JZYQOVGPGDQPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF3N3O/c23-17-6-3-4-14-15(12-19(28-20(14)17)13-8-10-27-11-9-13)21(30)29-18-7-2-1-5-16(18)22(24,25)26/h1-12H,(H,29,30).
What are the key properties of 8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 427.81 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-pyridin-4-yl-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 2220619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).