1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide

C20H14F6N2O2 — CID 30133626

IUPAC1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H14F6N2O2/c1-2-28-10-15(17(29)14-9-12(20(24,25)26)5-8-16(14)28)18(30)27-13-6-3-11(4-7-13)19(21,22)23/h3-10H,2H2,1H3,(H,27,30)
InChIKeyQWNZWNUBIMVDNM-UHFFFAOYSA-N
MW428.33 g/mol
LogP5.31
Rot. Bonds3

About 1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide

1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide (PubChem CID 30133626) has the molecular formula C20H14F6N2O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
PubChem CID30133626
Molecular FormulaC20H14F6N2O2
Molecular Weight428.33 g/mol
Exact Mass428.10
IUPAC Name1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C20H14F6N2O2/c1-2-28-10-15(17(29)14-9-12(20(24,25)26)5-8-16(14)28)18(30)27-13-6-3-11(4-7-13)19(21,22)23/h3-10H,2H2,1H3,(H,27,30)
InChIKeyQWNZWNUBIMVDNM-UHFFFAOYSA-N
XLogP5.31
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide (CID 30133626) is 1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide is CCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
The InChIKey is QWNZWNUBIMVDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O2/c1-2-28-10-15(17(29)14-9-12(20(24,25)26)5-8-16(14)28)18(30)27-13-6-3-11(4-7-13)19(21,22)23/h3-10H,2H2,1H3,(H,27,30).
What are the key properties of 1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide?
1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide has a molecular weight of 428.33 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-oxo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide is sourced from PubChem (CID 30133626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).