N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

C24H16ClF3N2O2 — CID 3128656

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C24H16ClF3N2O2/c1-32-16-9-6-14(7-10-16)21-13-18(17-4-2-3-5-20(17)29-21)23(31)30-22-12-15(24(26,27)28)8-11-19(22)25/h2-13H,1H3,(H,30,31)
InChIKeyIVSDZZPVWJUVOB-UHFFFAOYSA-N
MW456.85 g/mol
LogP6.83
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 3128656) has the molecular formula C24H16ClF3N2O2 and a molecular weight of 456.85 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID3128656
Molecular FormulaC24H16ClF3N2O2
Molecular Weight456.85 g/mol
Exact Mass456.09
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C24H16ClF3N2O2/c1-32-16-9-6-14(7-10-16)21-13-18(17-4-2-3-5-20(17)29-21)23(31)30-22-12-15(24(26,27)28)8-11-19(22)25/h2-13H,1H3,(H,30,31)
InChIKeyIVSDZZPVWJUVOB-UHFFFAOYSA-N
XLogP6.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.85
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 3128656) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is IVSDZZPVWJUVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF3N2O2/c1-32-16-9-6-14(7-10-16)21-13-18(17-4-2-3-5-20(17)29-21)23(31)30-22-12-15(24(26,27)28)8-11-19(22)25/h2-13H,1H3,(H,30,31).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 456.85 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3128656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).