(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide

C22H26FN5O2 — CID 118006573

IUPAC(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NC2CN(C)CCC2F)O1
InChIInChI=1S/C22H26FN5O2/c1-14-11-28(19-6-5-15(10-24)21-16(19)4-3-8-25-21)13-20(30-14)22(29)26-18-12-27(2)9-7-17(18)23/h3-6,8,14,17-18,20H,7,9,11-13H2,1-2H3,(H,26,29)/t14-,17?,18?,20-/m1/s1
InChIKeyZESOHBWQRPFRDB-ASIFFCQLSA-N
MW411.48 g/mol
LogP1.86
Rot. Bonds3

About (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide

(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide (PubChem CID 118006573) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide
PubChem CID118006573
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NC2CN(C)CCC2F)O1
InChIInChI=1S/C22H26FN5O2/c1-14-11-28(19-6-5-15(10-24)21-16(19)4-3-8-25-21)13-20(30-14)22(29)26-18-12-27(2)9-7-17(18)23/h3-6,8,14,17-18,20H,7,9,11-13H2,1-2H3,(H,26,29)/t14-,17?,18?,20-/m1/s1
InChIKeyZESOHBWQRPFRDB-ASIFFCQLSA-N
XLogP1.86
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 51.86
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)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide (CID 118006573) is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NC2CN(C)CCC2F)O1.
What is the InChIKey of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide?
The InChIKey is ZESOHBWQRPFRDB-ASIFFCQLSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-14-11-28(19-6-5-15(10-24)21-16(19)4-3-8-25-21)13-20(30-14)22(29)26-18-12-27(2)9-7-17(18)23/h3-6,8,14,17-18,20H,7,9,11-13H2,1-2H3,(H,26,29)/t14-,17?,18?,20-/m1/s1.
What are the key properties of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide?
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 1.86, 3 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)-N-(4-fluoro-1-methylpiperidin-3-yl)-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 118006573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).