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

C19H20N2O5 — CID 41459030

IUPAC1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C19H20N2O5/c1-13-10-16(6-7-17(13)21(23)24)26-12-19(22)20-9-3-4-14-11-15(25-2)5-8-18(14)20/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyRATDJGBCPMZGIJ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.27
Rot. Bonds5

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

1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone (PubChem CID 41459030) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone
PubChem CID41459030
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)COc1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C19H20N2O5/c1-13-10-16(6-7-17(13)21(23)24)26-12-19(22)20-9-3-4-14-11-15(25-2)5-8-18(14)20/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyRATDJGBCPMZGIJ-UHFFFAOYSA-N
XLogP3.27
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-4-nitrophenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24527680
2-(3-methyl-4-nitrophenoxy)-1-(5-nitro-2,3-dihydroindol-1-yl)ethanone
CID 27190512
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
CID 51286920
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-nitrophenyl)sulfanylethanone
CID 24556675
3-[2-(3-methyl-4-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one
CID 8978225
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
4-methyl-7-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
CID 27311229
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
ethyl 4-[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzoate
CID 24526608
2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone?
The IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone (CID 41459030) is 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone?
The canonical SMILES for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone is COc1ccc2c(c1)CCCN2C(=O)COc1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone?
The InChIKey is RATDJGBCPMZGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-13-10-16(6-7-17(13)21(23)24)26-12-19(22)20-9-3-4-14-11-15(25-2)5-8-18(14)20/h5-8,10-11H,3-4,9,12H2,1-2H3.
What are the key properties of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone?
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone has a molecular weight of 356.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone is sourced from PubChem (CID 41459030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).