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

C24H16F3N3O3 — CID 22736897

IUPAC2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid
SMILESCc1nc2cc(NC(=O)c3cccnc3-c3ccc(C(F)(F)F)cc3)ccc2cc1C(=O)O
InChIInChI=1S/C24H16F3N3O3/c1-13-19(23(32)33)11-15-6-9-17(12-20(15)29-13)30-22(31)18-3-2-10-28-21(18)14-4-7-16(8-5-14)24(25,26)27/h2-12H,1H3,(H,30,31)(H,32,33)
InChIKeyHICPWUDGRHBXGS-UHFFFAOYSA-N
MW451.40 g/mol
LogP5.57
Rot. Bonds4

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

2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid (PubChem CID 22736897) has the molecular formula C24H16F3N3O3 and a molecular weight of 451.40 g/mol. Its IUPAC name is 2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid
PubChem CID22736897
Molecular FormulaC24H16F3N3O3
Molecular Weight451.40 g/mol
Exact Mass451.11
IUPAC Name2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid
SMILESCc1nc2cc(NC(=O)c3cccnc3-c3ccc(C(F)(F)F)cc3)ccc2cc1C(=O)O
InChIInChI=1S/C24H16F3N3O3/c1-13-19(23(32)33)11-15-6-9-17(12-20(15)29-13)30-22(31)18-3-2-10-28-21(18)14-4-7-16(8-5-14)24(25,26)27/h2-12H,1H3,(H,30,31)(H,32,33)
InChIKeyHICPWUDGRHBXGS-UHFFFAOYSA-N
XLogP5.57
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.40
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid?
The IUPAC name of 2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid (CID 22736897) is 2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid?
The canonical SMILES for 2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid is Cc1nc2cc(NC(=O)c3cccnc3-c3ccc(C(F)(F)F)cc3)ccc2cc1C(=O)O.
What is the InChIKey of 2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid?
The InChIKey is HICPWUDGRHBXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O3/c1-13-19(23(32)33)11-15-6-9-17(12-20(15)29-13)30-22(31)18-3-2-10-28-21(18)14-4-7-16(8-5-14)24(25,26)27/h2-12H,1H3,(H,30,31)(H,32,33).
What are the key properties of 2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid?
2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid has a molecular weight of 451.40 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 22736897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).