[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate

C22H20N2O3 — CID 46696700

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
SMILESO=C(Cc1cccc2cccnc12)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H20N2O3/c25-20(24-13-5-10-16-6-1-2-11-19(16)24)15-27-21(26)14-18-8-3-7-17-9-4-12-23-22(17)18/h1-4,6-9,11-12H,5,10,13-15H2
InChIKeyNYUOUKVOZUDWOY-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.30
Rot. Bonds4

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate (PubChem CID 46696700) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
PubChem CID46696700
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
SMILESO=C(Cc1cccc2cccnc12)OCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C22H20N2O3/c25-20(24-13-5-10-16-6-1-2-11-19(16)24)15-27-21(26)14-18-8-3-7-17-9-4-12-23-22(17)18/h1-4,6-9,11-12H,5,10,13-15H2
InChIKeyNYUOUKVOZUDWOY-UHFFFAOYSA-N
XLogP3.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate with MolForge

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-quinolin-8-ylpropanamide
CID 108953424
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918626
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489293
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-(3,4-dihydro-2H-quinolin-1-yl)-2-isoquinolin-1-yloxyethanone
CID 2106501
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767831
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842352
ethyl 2-quinolin-8-ylacetate
CID 52562898

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate (CID 46696700) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate is O=C(Cc1cccc2cccnc12)OCC(=O)N1CCCc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate?
The InChIKey is NYUOUKVOZUDWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-20(24-13-5-10-16-6-1-2-11-19(16)24)15-27-21(26)14-18-8-3-7-17-9-4-12-23-22(17)18/h1-4,6-9,11-12H,5,10,13-15H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate has a molecular weight of 360.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate is sourced from PubChem (CID 46696700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).