(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride

C21H26ClN5O3 — CID 118007484

IUPAC(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NC[C@@H]2CNCCO2)O1.Cl
InChIInChI=1S/C21H25N5O3.ClH/c1-14-12-26(18-5-4-15(9-22)20-17(18)3-2-6-24-20)13-19(29-14)21(27)25-11-16-10-23-7-8-28-16;/h2-6,14,16,19,23H,7-8,10-13H2,1H3,(H,25,27);1H/t14-,16+,19-;/m1./s1
InChIKeyLZCBIRGHVKIEAI-BSLPGFAVSA-N
MW431.92 g/mol
LogP1.23
Rot. Bonds4

About (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride

(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 118007484) has the molecular formula C21H26ClN5O3 and a molecular weight of 431.92 g/mol. Its IUPAC name is (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID118007484
Molecular FormulaC21H26ClN5O3
Molecular Weight431.92 g/mol
Exact Mass431.17
IUPAC Name(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESC[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NC[C@@H]2CNCCO2)O1.Cl
InChIInChI=1S/C21H25N5O3.ClH/c1-14-12-26(18-5-4-15(9-22)20-17(18)3-2-6-24-20)13-19(29-14)21(27)25-11-16-10-23-7-8-28-16;/h2-6,14,16,19,23H,7-8,10-13H2,1H3,(H,25,27);1H/t14-,16+,19-;/m1./s1
InChIKeyLZCBIRGHVKIEAI-BSLPGFAVSA-N
XLogP1.23
TPSA99.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride (CID 118007484) is (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride is C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H](C(=O)NC[C@@H]2CNCCO2)O1.Cl.
What is the InChIKey of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is LZCBIRGHVKIEAI-BSLPGFAVSA-N. The full InChI is InChI=1S/C21H25N5O3.ClH/c1-14-12-26(18-5-4-15(9-22)20-17(18)3-2-6-24-20)13-19(29-14)21(27)25-11-16-10-23-7-8-28-16;/h2-6,14,16,19,23H,7-8,10-13H2,1H3,(H,25,27);1H/t14-,16+,19-;/m1./s1.
What are the key properties of (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride?
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 431.92 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[[(2S)-morpholin-2-yl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 118007484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).