[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone

C19H19N5O2 — CID 125018611

IUPAC[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone
SMILESCNc1nccnc1[C@@H]1CN(C(=O)c2cnc3ccccc3c2)CCO1
InChIInChI=1S/C19H19N5O2/c1-20-18-17(21-6-7-22-18)16-12-24(8-9-26-16)19(25)14-10-13-4-2-3-5-15(13)23-11-14/h2-7,10-11,16H,8-9,12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyXQAPYCDFJKNYNL-INIZCTEOSA-N
MW349.39 g/mol
LogP2.28
Rot. Bonds3

About [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone

[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone (PubChem CID 125018611) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone
PubChem CID125018611
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone
SMILESCNc1nccnc1[C@@H]1CN(C(=O)c2cnc3ccccc3c2)CCO1
InChIInChI=1S/C19H19N5O2/c1-20-18-17(21-6-7-22-18)16-12-24(8-9-26-16)19(25)14-10-13-4-2-3-5-15(13)23-11-14/h2-7,10-11,16H,8-9,12H2,1H3,(H,20,22)/t16-/m0/s1
InChIKeyXQAPYCDFJKNYNL-INIZCTEOSA-N
XLogP2.28
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 124959536
1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124947338
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 125008845
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124983075
[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 110113455
[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110112895
1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 125012972
2,3-dihydro-1,4-benzodioxin-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124948136
(5-fluoro-2-methoxyphenyl)-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124941841
[2-(5-methyl-1,2-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 139470055
(2-pyrazin-2-ylmorpholin-4-yl)-quinolin-6-ylmethanone
CID 110103222
2-(2-methoxyphenyl)-1-[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 110112925

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone?
The IUPAC name of [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone (CID 125018611) is [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone is CNc1nccnc1[C@@H]1CN(C(=O)c2cnc3ccccc3c2)CCO1.
What is the InChIKey of [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone?
The InChIKey is XQAPYCDFJKNYNL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-20-18-17(21-6-7-22-18)16-12-24(8-9-26-16)19(25)14-10-13-4-2-3-5-15(13)23-11-14/h2-7,10-11,16H,8-9,12H2,1H3,(H,20,22)/t16-/m0/s1.
What are the key properties of [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone?
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone has a molecular weight of 349.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 125018611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).