(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide

C21H26N4O3 — CID 118007199

IUPAC(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C21H26N4O3/c1-13(2)17(12-26)24-21(27)19-11-25(10-14(3)28-19)18-7-6-15(9-22)20-16(18)5-4-8-23-20/h4-8,13-14,17,19,26H,10-12H2,1-3H3,(H,24,27)/t14-,17-,19-/m1/s1
InChIKeyYRHCQJYSGHRTHI-LSBZLQRGSA-N
MW382.46 g/mol
LogP1.83
Rot. Bonds5

About (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide

(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide (PubChem CID 118007199) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide
PubChem CID118007199
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C21H26N4O3/c1-13(2)17(12-26)24-21(27)19-11-25(10-14(3)28-19)18-7-6-15(9-22)20-16(18)5-4-8-23-20/h4-8,13-14,17,19,26H,10-12H2,1-3H3,(H,24,27)/t14-,17-,19-/m1/s1
InChIKeyYRHCQJYSGHRTHI-LSBZLQRGSA-N
XLogP1.83
TPSA98.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.83
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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide (CID 118007199) is (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide is CC(C)[C@@H](CO)NC(=O)[C@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide?
The InChIKey is YRHCQJYSGHRTHI-LSBZLQRGSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13(2)17(12-26)24-21(27)19-11-25(10-14(3)28-19)18-7-6-15(9-22)20-16(18)5-4-8-23-20/h4-8,13-14,17,19,26H,10-12H2,1-3H3,(H,24,27)/t14-,17-,19-/m1/s1.
What are the key properties of (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide?
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.83, 5 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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 118007199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).