2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone

C17H20ClN3O2 — CID 60570878

IUPAC2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1cc(Cl)cc2cccnc12
InChIInChI=1S/C17H20ClN3O2/c1-20(12-16(22)21-5-7-23-8-6-21)11-14-10-15(18)9-13-3-2-4-19-17(13)14/h2-4,9-10H,5-8,11-12H2,1H3
InChIKeyGZTGABKNJMJIKX-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.18
Rot. Bonds4

About 2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone

2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone (PubChem CID 60570878) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
PubChem CID60570878
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1cc(Cl)cc2cccnc12
InChIInChI=1S/C17H20ClN3O2/c1-20(12-16(22)21-5-7-23-8-6-21)11-14-10-15(18)9-13-3-2-4-19-17(13)14/h2-4,9-10H,5-8,11-12H2,1H3
InChIKeyGZTGABKNJMJIKX-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone (CID 60570878) is 2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)Cc1cc(Cl)cc2cccnc12.
What is the InChIKey of 2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The InChIKey is GZTGABKNJMJIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-20(12-16(22)21-5-7-23-8-6-21)11-14-10-15(18)9-13-3-2-4-19-17(13)14/h2-4,9-10H,5-8,11-12H2,1H3.
What are the key properties of 2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
2-[(6-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-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 60570878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).