5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile

C20H23N5O2 — CID 118006873

IUPAC5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N2CCNCC2)O1
InChIInChI=1S/C20H23N5O2/c1-14-12-25(13-18(27-14)20(26)24-9-7-22-8-10-24)17-5-4-15(11-21)19-16(17)3-2-6-23-19/h2-6,14,18,22H,7-10,12-13H2,1H3/t14-,18-/m1/s1
InChIKeyZPZIPDLZSBSOHZ-RDTXWAMCSA-N
MW365.44 g/mol
LogP1.13
Rot. Bonds2

About 5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile

5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118006873) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118006873
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N2CCNCC2)O1
InChIInChI=1S/C20H23N5O2/c1-14-12-25(13-18(27-14)20(26)24-9-7-22-8-10-24)17-5-4-15(11-21)19-16(17)3-2-6-23-19/h2-6,14,18,22H,7-10,12-13H2,1H3/t14-,18-/m1/s1
InChIKeyZPZIPDLZSBSOHZ-RDTXWAMCSA-N
XLogP1.13
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R,6R)-2-(3,9-diazaspiro[5.5]undecane-3-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007504
5-[(2R,6R)-2-(4-aminopiperidine-1-carbonyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007391
5-[(2R,6R)-2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007214
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
N-(azepan-4-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140671730
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide
CID 140735605
5-[(2R,6S)-2-methyl-6-(piperazin-1-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118007081
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;hydrochloride
CID 140671765
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N-(2,2-difluoroethyl)-6-methylmorpholine-2-carboxamide
CID 118007404
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-(oxetan-3-yl)morpholine-2-carboxamide
CID 118007265

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile (CID 118006873) is 5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)N2CCNCC2)O1.
What is the InChIKey of 5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is ZPZIPDLZSBSOHZ-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-12-25(13-18(27-14)20(26)24-9-7-22-8-10-24)17-5-4-15(11-21)19-16(17)3-2-6-23-19/h2-6,14,18,22H,7-10,12-13H2,1H3/t14-,18-/m1/s1.
What are the key properties of 5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile?
5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 365.44 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,6R)-2-methyl-6-(piperazine-1-carbonyl)morpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118006873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).