(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide

C22H26FN5O2 — CID 118006536

IUPAC(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCC2(F)CCNCC2)O1
InChIInChI=1S/C22H26FN5O2/c1-15-12-28(18-5-4-16(11-24)20-17(18)3-2-8-26-20)13-19(30-15)21(29)27-14-22(23)6-9-25-10-7-22/h2-5,8,15,19,25H,6-7,9-10,12-14H2,1H3,(H,27,29)/t15-,19-/m1/s1
InChIKeyLSTXLLYXKYDMAF-DNVCBOLYSA-N
MW411.48 g/mol
LogP1.91
Rot. Bonds4

About (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide

(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide (PubChem CID 118006536) 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-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide
PubChem CID118006536
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCC2(F)CCNCC2)O1
InChIInChI=1S/C22H26FN5O2/c1-15-12-28(18-5-4-16(11-24)20-17(18)3-2-8-26-20)13-19(30-15)21(29)27-14-22(23)6-9-25-10-7-22/h2-5,8,15,19,25H,6-7,9-10,12-14H2,1H3,(H,27,29)/t15-,19-/m1/s1
InChIKeyLSTXLLYXKYDMAF-DNVCBOLYSA-N
XLogP1.91
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
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-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide (CID 118006536) is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NCC2(F)CCNCC2)O1.
What is the InChIKey of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is LSTXLLYXKYDMAF-DNVCBOLYSA-N. The full InChI is InChI=1S/C22H26FN5O2/c1-15-12-28(18-5-4-16(11-24)20-17(18)3-2-8-26-20)13-19(30-15)21(29)27-14-22(23)6-9-25-10-7-22/h2-5,8,15,19,25H,6-7,9-10,12-14H2,1H3,(H,27,29)/t15-,19-/m1/s1.
What are the key properties of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide?
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(4-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 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-fluoropiperidin-4-yl)methyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 118006536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).