2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone

C17H24N2O3 — CID 56809620

IUPAC2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCOc1ccc2c(c1)CCCN2CC(=O)N1CCOC(C)C1
InChIInChI=1S/C17H24N2O3/c1-13-11-19(8-9-22-13)17(20)12-18-7-3-4-14-10-15(21-2)5-6-16(14)18/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3
InChIKeyXDCDILAJPGAHFC-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.70
Rot. Bonds3

About 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone

2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 56809620) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID56809620
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
SMILESCOc1ccc2c(c1)CCCN2CC(=O)N1CCOC(C)C1
InChIInChI=1S/C17H24N2O3/c1-13-11-19(8-9-22-13)17(20)12-18-7-3-4-14-10-15(21-2)5-6-16(14)18/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3
InChIKeyXDCDILAJPGAHFC-UHFFFAOYSA-N
XLogP1.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone (CID 56809620) is 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone is COc1ccc2c(c1)CCCN2CC(=O)N1CCOC(C)C1.
What is the InChIKey of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is XDCDILAJPGAHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-11-19(8-9-22-13)17(20)12-18-7-3-4-14-10-15(21-2)5-6-16(14)18/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone?
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 56809620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).