(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide

C18H18F2N4O2 — CID 118007404

IUPAC(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCC(F)F)O1
InChIInChI=1S/C18H18F2N4O2/c1-11-9-24(10-15(26-11)18(25)23-8-16(19)20)14-5-4-12(7-21)17-13(14)3-2-6-22-17/h2-6,11,15-16H,8-10H2,1H3,(H,23,25)/t11-,15-/m1/s1
InChIKeyWXXKOTUEKNYQOD-IAQYHMDHSA-N
MW360.36 g/mol
LogP2.08
Rot. Bonds4

About (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide

(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide (PubChem CID 118007404) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
PubChem CID118007404
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCC(F)F)O1
InChIInChI=1S/C18H18F2N4O2/c1-11-9-24(10-15(26-11)18(25)23-8-16(19)20)14-5-4-12(7-21)17-13(14)3-2-6-22-17/h2-6,11,15-16H,8-10H2,1H3,(H,23,25)/t11-,15-/m1/s1
InChIKeyWXXKOTUEKNYQOD-IAQYHMDHSA-N
XLogP2.08
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide (CID 118007404) is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCC(F)F)O1.
What is the InChIKey of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide?
The InChIKey is WXXKOTUEKNYQOD-IAQYHMDHSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-11-9-24(10-15(26-11)18(25)23-8-16(19)20)14-5-4-12(7-21)17-13(14)3-2-6-22-17/h2-6,11,15-16H,8-10H2,1H3,(H,23,25)/t11-,15-/m1/s1.
What are the key properties of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide?
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 118007404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).