4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

C22H19F4N3O2 — CID 71565884

IUPAC4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1
InChIInChI=1S/C22H19F4N3O2/c23-15-4-2-14(3-5-15)17-10-19(21(27)30)28-18-9-13(1-6-16(17)18)11-29-7-8-31-20(12-29)22(24,25)26/h1-6,9-10,20H,7-8,11-12H2,(H2,27,30)
InChIKeyPQGBVTXVOBDHIA-UHFFFAOYSA-N
MW433.41 g/mol
LogP3.90
Rot. Bonds4

About 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide

4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (PubChem CID 71565884) has the molecular formula C22H19F4N3O2 and a molecular weight of 433.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
PubChem CID71565884
Molecular FormulaC22H19F4N3O2
Molecular Weight433.41 g/mol
Exact Mass433.14
IUPAC Name4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1
InChIInChI=1S/C22H19F4N3O2/c23-15-4-2-14(3-5-15)17-10-19(21(27)30)28-18-9-13(1-6-16(17)18)11-29-7-8-31-20(12-29)22(24,25)26/h1-6,9-10,20H,7-8,11-12H2,(H2,27,30)
InChIKeyPQGBVTXVOBDHIA-UHFFFAOYSA-N
XLogP3.90
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-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 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide (CID 71565884) is 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC(C(F)(F)F)C3)cc2n1.
What is the InChIKey of 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
The InChIKey is PQGBVTXVOBDHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N3O2/c23-15-4-2-14(3-5-15)17-10-19(21(27)30)28-18-9-13(1-6-16(17)18)11-29-7-8-31-20(12-29)22(24,25)26/h1-6,9-10,20H,7-8,11-12H2,(H2,27,30).
What are the key properties of 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide?
4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide has a molecular weight of 433.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 71565884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).