1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone

C14H14N2O3 — CID 75483818

IUPAC1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone
SMILESO=C(Cc1ccon1)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H14N2O3/c17-12-5-1-3-10-4-2-7-16(14(10)12)13(18)9-11-6-8-19-15-11/h1,3,5-6,8,17H,2,4,7,9H2
InChIKeyKEDOAYRCJRRPSB-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.90
Rot. Bonds2

About 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone

1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone (PubChem CID 75483818) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone
PubChem CID75483818
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone
SMILESO=C(Cc1ccon1)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H14N2O3/c17-12-5-1-3-10-4-2-7-16(14(10)12)13(18)9-11-6-8-19-15-11/h1,3,5-6,8,17H,2,4,7,9H2
InChIKeyKEDOAYRCJRRPSB-UHFFFAOYSA-N
XLogP1.90
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone (CID 75483818) is 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone is O=C(Cc1ccon1)N1CCCc2cccc(O)c21.
What is the InChIKey of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone?
The InChIKey is KEDOAYRCJRRPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12-5-1-3-10-4-2-7-16(14(10)12)13(18)9-11-6-8-19-15-11/h1,3,5-6,8,17H,2,4,7,9H2.
What are the key properties of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone?
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone has a molecular weight of 258.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 75483818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).