6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide

C22H13BrF3N3O — CID 2220749

IUPAC6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C22H13BrF3N3O/c23-15-5-8-19-17(10-15)18(11-20(29-19)13-2-1-9-27-12-13)21(30)28-16-6-3-14(4-7-16)22(24,25)26/h1-12H,(H,28,30)
InChIKeyWJQVUVPLOIOXNA-UHFFFAOYSA-N
MW472.26 g/mol
LogP6.33
Rot. Bonds3

About 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide

6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 2220749) has the molecular formula C22H13BrF3N3O and a molecular weight of 472.26 g/mol. Its IUPAC name is 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide
PubChem CID2220749
Molecular FormulaC22H13BrF3N3O
Molecular Weight472.26 g/mol
Exact Mass471.02
IUPAC Name6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C22H13BrF3N3O/c23-15-5-8-19-17(10-15)18(11-20(29-19)13-2-1-9-27-12-13)21(30)28-16-6-3-14(4-7-16)22(24,25)26/h1-12H,(H,28,30)
InChIKeyWJQVUVPLOIOXNA-UHFFFAOYSA-N
XLogP6.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.26
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide (CID 2220749) is 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2cccnc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is WJQVUVPLOIOXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrF3N3O/c23-15-5-8-19-17(10-15)18(11-20(29-19)13-2-1-9-27-12-13)21(30)28-16-6-3-14(4-7-16)22(24,25)26/h1-12H,(H,28,30).
What are the key properties of 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide?
6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 472.26 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 2220749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).