[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate

C20H21NO5 — CID 55468248

IUPAC[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESCOc1ccc2c(c1)CCCN2C(=O)COC(=O)c1ccc(CO)cc1
InChIInChI=1S/C20H21NO5/c1-25-17-8-9-18-16(11-17)3-2-10-21(18)19(23)13-26-20(24)15-6-4-14(12-22)5-7-15/h4-9,11,22H,2-3,10,12-13H2,1H3
InChIKeyUQXXEQAFUDXZCR-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.32
Rot. Bonds5

About [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate

[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate (PubChem CID 55468248) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
PubChem CID55468248
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
SMILESCOc1ccc2c(c1)CCCN2C(=O)COC(=O)c1ccc(CO)cc1
InChIInChI=1S/C20H21NO5/c1-25-17-8-9-18-16(11-17)3-2-10-21(18)19(23)13-26-20(24)15-6-4-14(12-22)5-7-15/h4-9,11,22H,2-3,10,12-13H2,1H3
InChIKeyUQXXEQAFUDXZCR-UHFFFAOYSA-N
XLogP2.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate with MolForge

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Related Compounds

[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-methyl-2-oxopyridine-4-carboxylate
CID 55994688
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 35137501
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
CID 36502951
[2-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-nitrobenzoate
CID 27310246
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 55469462
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
CID 36644404
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The IUPAC name of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate (CID 55468248) is [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate.
What is the SMILES notation for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The canonical SMILES for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate is COc1ccc2c(c1)CCCN2C(=O)COC(=O)c1ccc(CO)cc1.
What is the InChIKey of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
The InChIKey is UQXXEQAFUDXZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-25-17-8-9-18-16(11-17)3-2-10-21(18)19(23)13-26-20(24)15-6-4-14(12-22)5-7-15/h4-9,11,22H,2-3,10,12-13H2,1H3.
What are the key properties of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate?
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 55468248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).