1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

C24H17F3N2O2 — CID 57391920

IUPAC1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21
InChIInChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)
InChIKeyXRRCRIQWBWQWDY-UHFFFAOYSA-N
MW422.41 g/mol
LogP5.48
Rot. Bonds3

About 1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide

1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 57391920) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID57391920
Molecular FormulaC24H17F3N2O2
Molecular Weight422.41 g/mol
Exact Mass422.12
IUPAC Name1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21
InChIInChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31)
InChIKeyXRRCRIQWBWQWDY-UHFFFAOYSA-N
XLogP5.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.41
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 57391920) is 1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is Cn1cc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)c(=O)c2ccccc21.
What is the InChIKey of 1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is XRRCRIQWBWQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c1-29-14-19(22(30)18-9-5-6-10-21(18)29)23(31)28-16-11-12-17(15-7-3-2-4-8-15)20(13-16)24(25,26)27/h2-14H,1H3,(H,28,31).
What are the key properties of 1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 422.41 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-[4-phenyl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 57391920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).