3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one

C17H21ClN4O2 — CID 122142843

IUPAC3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC(c2cccc(Cl)c2)N2CCOCC2)c1=O
InChIInChI=1S/C17H21ClN4O2/c1-21-6-5-19-16(17(21)23)20-12-15(22-7-9-24-10-8-22)13-3-2-4-14(18)11-13/h2-6,11,15H,7-10,12H2,1H3,(H,19,20)
InChIKeyOIBROWCYKQQXKX-UHFFFAOYSA-N
MW348.83 g/mol
LogP1.92
Rot. Bonds5

About 3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one

3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one (PubChem CID 122142843) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one
PubChem CID122142843
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC(c2cccc(Cl)c2)N2CCOCC2)c1=O
InChIInChI=1S/C17H21ClN4O2/c1-21-6-5-19-16(17(21)23)20-12-15(22-7-9-24-10-8-22)13-3-2-4-14(18)11-13/h2-6,11,15H,7-10,12H2,1H3,(H,19,20)
InChIKeyOIBROWCYKQQXKX-UHFFFAOYSA-N
XLogP1.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]pyrimidin-2-amine
CID 95312339
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
(2S)-2-(3-chlorophenyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-2-morpholin-4-ylethanamine
CID 97066602
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110934883
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-N'-(1,3-thiazol-2-yl)butanediamide
CID 86882802
1-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylguanidine
CID 99845927
(2S,3R)-N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyloxolan-3-amine
CID 100906281
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-propan-2-yloxypyrazin-2-amine
CID 133442873
3-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylpropanoic acid
CID 62940771
1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111963706

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one (CID 122142843) is 3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one is Cn1ccnc(NCC(c2cccc(Cl)c2)N2CCOCC2)c1=O.
What is the InChIKey of 3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one?
The InChIKey is OIBROWCYKQQXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-21-6-5-19-16(17(21)23)20-12-15(22-7-9-24-10-8-22)13-3-2-4-14(18)11-13/h2-6,11,15H,7-10,12H2,1H3,(H,19,20).
What are the key properties of 3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one?
3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one has a molecular weight of 348.83 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]amino]-1-methylpyrazin-2-one is sourced from PubChem (CID 122142843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).