2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone

C17H20ClN3O2 — CID 60570856

IUPAC2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H20ClN3O2/c1-20(12-16(22)21-7-9-23-10-8-21)11-13-4-5-15(18)14-3-2-6-19-17(13)14/h2-6H,7-12H2,1H3
InChIKeyZVKXRURYKZWPIA-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.18
Rot. Bonds4

About 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone

2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone (PubChem CID 60570856) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
PubChem CID60570856
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H20ClN3O2/c1-20(12-16(22)21-7-9-23-10-8-21)11-13-4-5-15(18)14-3-2-6-19-17(13)14/h2-6H,7-12H2,1H3
InChIKeyZVKXRURYKZWPIA-UHFFFAOYSA-N
XLogP2.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60501294
2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60570878
2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116783960
2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 8711791
4-[(5-chloroquinolin-8-yl)methyl]morpholine-3-carboxylic acid
CID 115960550
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 167882816
2-[methyl-[(2-methyl-3-nitrophenyl)methyl]amino]-1-morpholin-4-ylethanone
CID 60501292
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 9137227
2-[(5-chloroquinolin-8-yl)methyl-ethylamino]ethanol
CID 60509838
1-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]piperidin-4-one
CID 60692160
2-[2-chloro-6-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 112612580

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone (CID 60570856) is 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)Cc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The InChIKey is ZVKXRURYKZWPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-20(12-16(22)21-7-9-23-10-8-21)11-13-4-5-15(18)14-3-2-6-19-17(13)14/h2-6H,7-12H2,1H3.
What are the key properties of 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone has a molecular weight of 333.82 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 60570856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).