(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide

C23H20F3N5O2 — CID 118006662

IUPAC(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCc2ncccc2C(F)(F)F)O1
InChIInChI=1S/C23H20F3N5O2/c1-14-12-31(19-7-6-15(10-27)21-16(19)4-2-9-29-21)13-20(33-14)22(32)30-11-18-17(23(24,25)26)5-3-8-28-18/h2-9,14,20H,11-13H2,1H3,(H,30,32)/t14-,20-/m1/s1
InChIKeyKLGIQPVZIFLVOH-JLTOFOAXSA-N
MW455.44 g/mol
LogP3.43
Rot. Bonds4

About (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide

(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide (PubChem CID 118006662) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide
PubChem CID118006662
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCc2ncccc2C(F)(F)F)O1
InChIInChI=1S/C23H20F3N5O2/c1-14-12-31(19-7-6-15(10-27)21-16(19)4-2-9-29-21)13-20(33-14)22(32)30-11-18-17(23(24,25)26)5-3-8-28-18/h2-9,14,20H,11-13H2,1H3,(H,30,32)/t14-,20-/m1/s1
InChIKeyKLGIQPVZIFLVOH-JLTOFOAXSA-N
XLogP3.43
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide (CID 118006662) is (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCc2ncccc2C(F)(F)F)O1.
What is the InChIKey of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide?
The InChIKey is KLGIQPVZIFLVOH-JLTOFOAXSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-14-12-31(19-7-6-15(10-27)21-16(19)4-2-9-29-21)13-20(33-14)22(32)30-11-18-17(23(24,25)26)5-3-8-28-18/h2-9,14,20H,11-13H2,1H3,(H,30,32)/t14-,20-/m1/s1.
What are the key properties of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide?
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 118006662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).