N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide

C26H21F3N4O2 — CID 70853123

IUPACN-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccnc(N2CCOCC2)c1)c1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)19-5-1-4-18(15-19)21-6-2-3-17-7-8-22(32-24(17)21)25(34)31-20-9-10-30-23(16-20)33-11-13-35-14-12-33/h1-10,15-16H,11-14H2,(H,30,31,34)
InChIKeyTXHUZQUMRAKUPB-UHFFFAOYSA-N
MW478.47 g/mol
LogP5.40
Rot. Bonds4

About N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide

N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide (PubChem CID 70853123) has the molecular formula C26H21F3N4O2 and a molecular weight of 478.47 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
PubChem CID70853123
Molecular FormulaC26H21F3N4O2
Molecular Weight478.47 g/mol
Exact Mass478.16
IUPAC NameN-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccnc(N2CCOCC2)c1)c1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C26H21F3N4O2/c27-26(28,29)19-5-1-4-18(15-19)21-6-2-3-17-7-8-22(32-24(17)21)25(34)31-20-9-10-30-23(16-20)33-11-13-35-14-12-33/h1-10,15-16H,11-14H2,(H,30,31,34)
InChIKeyTXHUZQUMRAKUPB-UHFFFAOYSA-N
XLogP5.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-pyrrolidin-1-yl-2-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853301
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 89033948
N-[2-(2,3-dihydroxypropoxy)-4-pyridinyl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70852931
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 32584893
N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853158
3-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
CID 86297692
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122318873
8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 89034067
N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 70852951
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039
N-[4-methyl-3-(4-morpholin-4-ylpyrimidin-2-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176803184
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300470

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide (CID 70853123) is N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide is O=C(Nc1ccnc(N2CCOCC2)c1)c1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
The InChIKey is TXHUZQUMRAKUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N4O2/c27-26(28,29)19-5-1-4-18(15-19)21-6-2-3-17-7-8-22(32-24(17)21)25(34)31-20-9-10-30-23(16-20)33-11-13-35-14-12-33/h1-10,15-16H,11-14H2,(H,30,31,34).
What are the key properties of N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide?
N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide has a molecular weight of 478.47 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-4-pyridinyl)-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 70853123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).