2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

C16H17N3O4 — CID 60562887

IUPAC2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESO=C1CCc2cc(OCC(=O)OCCn3cccn3)ccc2N1
InChIInChI=1S/C16H17N3O4/c20-15-5-2-12-10-13(3-4-14(12)18-15)23-11-16(21)22-9-8-19-7-1-6-17-19/h1,3-4,6-7,10H,2,5,8-9,11H2,(H,18,20)
InChIKeyBMEUEGMTOLOIME-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.39
Rot. Bonds6

About 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (PubChem CID 60562887) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
PubChem CID60562887
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESO=C1CCc2cc(OCC(=O)OCCn3cccn3)ccc2N1
InChIInChI=1S/C16H17N3O4/c20-15-5-2-12-10-13(3-4-14(12)18-15)23-11-16(21)22-9-8-19-7-1-6-17-19/h1,3-4,6-7,10H,2,5,8-9,11H2,(H,18,20)
InChIKeyBMEUEGMTOLOIME-UHFFFAOYSA-N
XLogP1.39
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate with MolForge

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Related Compounds

2-pyrazol-1-ylethyl 2-(4-aminophenoxy)acetate
CID 61494607
6-[2-(2-phenylimidazol-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 163397351
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 56528578
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
6-[2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 95613898
(2-chloro-6-fluorophenyl)methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 55528236
6-(3-methyl-2-oxobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 79395861
6-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 51128978
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 55528240
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl quinoxaline-5-carboxylate
CID 166211201

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The IUPAC name of 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (CID 60562887) is 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The canonical SMILES for 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is O=C1CCc2cc(OCC(=O)OCCn3cccn3)ccc2N1.
What is the InChIKey of 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The InChIKey is BMEUEGMTOLOIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15-5-2-12-10-13(3-4-14(12)18-15)23-11-16(21)22-9-8-19-7-1-6-17-19/h1,3-4,6-7,10H,2,5,8-9,11H2,(H,18,20).
What are the key properties of 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate has a molecular weight of 315.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is sourced from PubChem (CID 60562887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).