7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid

C23H14F3N3O3 — CID 22736861

IUPAC7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(NC(=O)c3cccnc3-c3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C23H14F3N3O3/c24-23(25,26)16-6-3-13(4-7-16)20-18(2-1-9-27-20)21(30)29-17-8-5-14-10-15(22(31)32)12-28-19(14)11-17/h1-12H,(H,29,30)(H,31,32)
InChIKeyWOYZBQJFUZJCPC-UHFFFAOYSA-N
MW437.38 g/mol
LogP5.27
Rot. Bonds4

About 7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid

7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid (PubChem CID 22736861) has the molecular formula C23H14F3N3O3 and a molecular weight of 437.38 g/mol. Its IUPAC name is 7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid
PubChem CID22736861
Molecular FormulaC23H14F3N3O3
Molecular Weight437.38 g/mol
Exact Mass437.10
IUPAC Name7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2cc(NC(=O)c3cccnc3-c3ccc(C(F)(F)F)cc3)ccc2c1
InChIInChI=1S/C23H14F3N3O3/c24-23(25,26)16-6-3-13(4-7-16)20-18(2-1-9-27-20)21(30)29-17-8-5-14-10-15(22(31)32)12-28-19(14)11-17/h1-12H,(H,29,30)(H,31,32)
InChIKeyWOYZBQJFUZJCPC-UHFFFAOYSA-N
XLogP5.27
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.38
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid?
The IUPAC name of 7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid (CID 22736861) is 7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid?
The canonical SMILES for 7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid is O=C(O)c1cnc2cc(NC(=O)c3cccnc3-c3ccc(C(F)(F)F)cc3)ccc2c1.
What is the InChIKey of 7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid?
The InChIKey is WOYZBQJFUZJCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O3/c24-23(25,26)16-6-3-13(4-7-16)20-18(2-1-9-27-20)21(30)29-17-8-5-14-10-15(22(31)32)12-28-19(14)11-17/h1-12H,(H,29,30)(H,31,32).
What are the key properties of 7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid?
7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid has a molecular weight of 437.38 g/mol, XLogP of 5.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 22736861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).