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

C18H17NO3 — CID 2361400

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H17NO3/c20-17(13-22-18(21)15-8-2-1-3-9-15)19-12-6-10-14-7-4-5-11-16(14)19/h1-5,7-9,11H,6,10,12-13H2
InChIKeyRKMVHDNESFNVNE-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.82
Rot. Bonds3

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

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate (PubChem CID 2361400) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
PubChem CID2361400
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C18H17NO3/c20-17(13-22-18(21)15-8-2-1-3-9-15)19-12-6-10-14-7-4-5-11-16(14)19/h1-5,7-9,11H,6,10,12-13H2
InChIKeyRKMVHDNESFNVNE-UHFFFAOYSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[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] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404793
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 4783907
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 40691302
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-benzamidobenzoate
CID 7835824
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18081809
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010543
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2715336
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 3890210
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823603

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate (CID 2361400) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate is O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate?
The InChIKey is RKMVHDNESFNVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17(13-22-18(21)15-8-2-1-3-9-15)19-12-6-10-14-7-4-5-11-16(14)19/h1-5,7-9,11H,6,10,12-13H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate has a molecular weight of 295.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate is sourced from PubChem (CID 2361400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).