N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

C18H12ClF3N2O — CID 163204141

IUPACN-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCc1ccc(-c2nc3ccccc3cc2C(=O)NCl)cc1C(F)(F)F
InChIInChI=1S/C18H12ClF3N2O/c1-10-6-7-12(9-14(10)18(20,21)22)16-13(17(25)24-19)8-11-4-2-3-5-15(11)23-16/h2-9H,1H3,(H,24,25)
InChIKeyZETIMHRWKBRAGX-UHFFFAOYSA-N
MW364.75 g/mol
LogP5.11
Rot. Bonds2

About N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 163204141) has the molecular formula C18H12ClF3N2O and a molecular weight of 364.75 g/mol. Its IUPAC name is N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID163204141
Molecular FormulaC18H12ClF3N2O
Molecular Weight364.75 g/mol
Exact Mass364.06
IUPAC NameN-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCc1ccc(-c2nc3ccccc3cc2C(=O)NCl)cc1C(F)(F)F
InChIInChI=1S/C18H12ClF3N2O/c1-10-6-7-12(9-14(10)18(20,21)22)16-13(17(25)24-19)8-11-4-2-3-5-15(11)23-16/h2-9H,1H3,(H,24,25)
InChIKeyZETIMHRWKBRAGX-UHFFFAOYSA-N
XLogP5.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.75
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[2-(trifluoromethyl)phenyl]quinoline
CID 132515262
3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
CID 134841848
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
2-phenylquinoline-3-carboxamide
CID 22159420
1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129213092
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5054651
iridium;3-methyl-2-phenylquinoline
CID 174474394
2-(4-acetyloxyphenyl)quinoline-3-carboxylic acid
CID 67205702
N-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 162568160
2-(3,5-dimethylphenyl)-3-methylquinoline
CID 59273843
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 163204141) is N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is Cc1ccc(-c2nc3ccccc3cc2C(=O)NCl)cc1C(F)(F)F.
What is the InChIKey of N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is ZETIMHRWKBRAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N2O/c1-10-6-7-12(9-14(10)18(20,21)22)16-13(17(25)24-19)8-11-4-2-3-5-15(11)23-16/h2-9H,1H3,(H,24,25).
What are the key properties of N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 364.75 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-[4-methyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 163204141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).