N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide

C21H18F3N3O2 — CID 2102463

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2n1
InChIInChI=1S/C21H18F3N3O2/c22-21(23,24)15-6-8-19(27-9-11-29-12-10-27)18(13-15)26-20(28)17-7-5-14-3-1-2-4-16(14)25-17/h1-8,13H,9-12H2,(H,26,28)
InChIKeyJJSBGUSJSGHNGW-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.34
Rot. Bonds3

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide (PubChem CID 2102463) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
PubChem CID2102463
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2n1
InChIInChI=1S/C21H18F3N3O2/c22-21(23,24)15-6-8-19(27-9-11-29-12-10-27)18(13-15)26-20(28)17-7-5-14-3-1-2-4-16(14)25-17/h1-8,13H,9-12H2,(H,26,28)
InChIKeyJJSBGUSJSGHNGW-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide (CID 2102463) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2n1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The InChIKey is JJSBGUSJSGHNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c22-21(23,24)15-6-8-19(27-9-11-29-12-10-27)18(13-15)26-20(28)17-7-5-14-3-1-2-4-16(14)25-17/h1-8,13H,9-12H2,(H,26,28).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 2102463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).