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

C21H23NO5 — CID 36502951

IUPAC[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
SMILESCOc1ccc2c(c1)CCCN2C(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C21H23NO5/c1-25-18-9-10-19-16(14-18)6-5-12-22(19)20(23)15-27-21(24)11-13-26-17-7-3-2-4-8-17/h2-4,7-10,14H,5-6,11-13,15H2,1H3
InChIKeyWDDJXNNPNGVFCC-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.99
Rot. Bonds7

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

[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate (PubChem CID 36502951) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
PubChem CID36502951
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate
SMILESCOc1ccc2c(c1)CCCN2C(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C21H23NO5/c1-25-18-9-10-19-16(14-18)6-5-12-22(19)20(23)15-27-21(24)11-13-26-17-7-3-2-4-8-17/h2-4,7-10,14H,5-6,11-13,15H2,1H3
InChIKeyWDDJXNNPNGVFCC-UHFFFAOYSA-N
XLogP2.99
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
CID 51286920
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
CID 36644404
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 46531241
2-(1-aminocyclopentyl)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 64679011
[2-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxoethyl] 3-phenoxypropanoate
CID 40756316
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 55468248
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 55469462

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate?
The IUPAC name of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate (CID 36502951) is [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate is COc1ccc2c(c1)CCCN2C(=O)COC(=O)CCOc1ccccc1.
What is the InChIKey of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate?
The InChIKey is WDDJXNNPNGVFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-25-18-9-10-19-16(14-18)6-5-12-22(19)20(23)15-27-21(24)11-13-26-17-7-3-2-4-8-17/h2-4,7-10,14H,5-6,11-13,15H2,1H3.
What are the key properties of [2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate?
[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-phenoxypropanoate has a molecular weight of 369.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 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] 3-phenoxypropanoate is sourced from PubChem (CID 36502951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).