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

C17H16N2O3 — CID 9413223

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1cccnc1
InChIInChI=1S/C17H16N2O3/c20-16(12-22-17(21)14-6-3-9-18-11-14)19-10-4-7-13-5-1-2-8-15(13)19/h1-3,5-6,8-9,11H,4,7,10,12H2
InChIKeyAGMCDIDRAIUKFF-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.22
Rot. Bonds3

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

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 9413223) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID9413223
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1cccnc1
InChIInChI=1S/C17H16N2O3/c20-16(12-22-17(21)14-6-3-9-18-11-14)19-10-4-7-13-5-1-2-8-15(13)19/h1-3,5-6,8-9,11H,4,7,10,12H2
InChIKeyAGMCDIDRAIUKFF-UHFFFAOYSA-N
XLogP2.22
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
[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
N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide
CID 22149343
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 2715390
[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] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918626
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010543
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 40691302
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9413327
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9413325

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate (CID 9413223) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate is O=C(OCC(=O)N1CCCc2ccccc21)c1cccnc1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is AGMCDIDRAIUKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(12-22-17(21)14-6-3-9-18-11-14)19-10-4-7-13-5-1-2-8-15(13)19/h1-3,5-6,8-9,11H,4,7,10,12H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.22, 3 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] pyridine-3-carboxylate is sourced from PubChem (CID 9413223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).