N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide

C26H20ClF3N2O — CID 19647664

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C26H20ClF3N2O/c1-14-4-6-17(7-5-14)22-13-20(19-11-15(2)10-16(3)24(19)31-22)25(33)32-23-12-18(26(28,29)30)8-9-21(23)27/h4-13H,1-3H3,(H,32,33)
InChIKeyFTYXIGIUPQEQAT-UHFFFAOYSA-N
MW468.91 g/mol
LogP7.75
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 19647664) has the molecular formula C26H20ClF3N2O and a molecular weight of 468.91 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID19647664
Molecular FormulaC26H20ClF3N2O
Molecular Weight468.91 g/mol
Exact Mass468.12
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3cc(C)cc(C)c3n2)cc1
InChIInChI=1S/C26H20ClF3N2O/c1-14-4-6-17(7-5-14)22-13-20(19-11-15(2)10-16(3)24(19)31-22)25(33)32-23-12-18(26(28,29)30)8-9-21(23)27/h4-13H,1-3H3,(H,32,33)
InChIKeyFTYXIGIUPQEQAT-UHFFFAOYSA-N
XLogP7.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.91
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
2-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3128616
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647611
N-(3-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647615
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 5207442
N-(4-bromo-2-methylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17258584
N-(2,5-dimethoxyphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647672
2-(3-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3500821
N-(4-bromo-2,3-dimethylphenyl)-2-(4-fluorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647594

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide (CID 19647664) is N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3cc(C)cc(C)c3n2)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is FTYXIGIUPQEQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N2O/c1-14-4-6-17(7-5-14)22-13-20(19-11-15(2)10-16(3)24(19)31-22)25(33)32-23-12-18(26(28,29)30)8-9-21(23)27/h4-13H,1-3H3,(H,32,33).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 468.91 g/mol, XLogP of 7.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19647664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).