N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide

C21H26N4O2 — CID 118007348

IUPACN-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CNC(=O)C(C)(C)C)O1
InChIInChI=1S/C21H26N4O2/c1-14-12-25(13-16(27-14)11-24-20(26)21(2,3)4)18-8-7-15(10-22)19-17(18)6-5-9-23-19/h5-9,14,16H,11-13H2,1-4H3,(H,24,26)/t14-,16+/m1/s1
InChIKeyGDCALZZMDDRUBW-ZBFHGGJFSA-N
MW366.47 g/mol
LogP2.86
Rot. Bonds3

About N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide

N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 118007348) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
PubChem CID118007348
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CNC(=O)C(C)(C)C)O1
InChIInChI=1S/C21H26N4O2/c1-14-12-25(13-16(27-14)11-24-20(26)21(2,3)4)18-8-7-15(10-22)19-17(18)6-5-9-23-19/h5-9,14,16H,11-13H2,1-4H3,(H,24,26)/t14-,16+/m1/s1
InChIKeyGDCALZZMDDRUBW-ZBFHGGJFSA-N
XLogP2.86
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006692
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006574
5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007354
5-[(2S,6R)-2-[(4-acetylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007242
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
tert-butyl N-[[1-[(2R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]azetidin-3-yl]methyl]carbamate
CID 167055427
5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006998
5-[(2R,6R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007077
5-[(2R,6R)-2-(1-hydroxypropyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007097
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide (CID 118007348) is N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](CNC(=O)C(C)(C)C)O1.
What is the InChIKey of N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is GDCALZZMDDRUBW-ZBFHGGJFSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-12-25(13-16(27-14)11-24-20(26)21(2,3)4)18-8-7-15(10-22)19-17(18)6-5-9-23-19/h5-9,14,16H,11-13H2,1-4H3,(H,24,26)/t14-,16+/m1/s1.
What are the key properties of N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide?
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 366.47 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118007348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).