4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide

C18H13F3N2O2 — CID 24949215

IUPAC4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(F)(F)F)c(=O)[nH]c2ccccc12
InChIInChI=1S/C18H13F3N2O2/c1-10-11-6-2-4-8-13(11)22-16(24)15(10)17(25)23-14-9-5-3-7-12(14)18(19,20)21/h2-9H,1H3,(H,22,24)(H,23,25)
InChIKeyJLHIDMIQWGLHAQ-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.11
Rot. Bonds2

About 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide

4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide (PubChem CID 24949215) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
PubChem CID24949215
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(F)(F)F)c(=O)[nH]c2ccccc12
InChIInChI=1S/C18H13F3N2O2/c1-10-11-6-2-4-8-13(11)22-16(24)15(10)17(25)23-14-9-5-3-7-12(14)18(19,20)21/h2-9H,1H3,(H,22,24)(H,23,25)
InChIKeyJLHIDMIQWGLHAQ-UHFFFAOYSA-N
XLogP4.11
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide (CID 24949215) is 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide is Cc1c(C(=O)Nc2ccccc2C(F)(F)F)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide?
The InChIKey is JLHIDMIQWGLHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-10-11-6-2-4-8-13(11)22-16(24)15(10)17(25)23-14-9-5-3-7-12(14)18(19,20)21/h2-9H,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide?
4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 24949215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).