(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

C15H16N2O4 — CID 66156167

IUPAC(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCCc3cccc(O)c32)no1
InChIInChI=1S/C15H16N2O4/c1-20-9-11-8-12(16-21-11)15(19)17-7-3-5-10-4-2-6-13(18)14(10)17/h2,4,6,8,18H,3,5,7,9H2,1H3
InChIKeyUIYROXMLKVZAGP-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.12
Rot. Bonds3

About (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone

(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (PubChem CID 66156167) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
PubChem CID66156167
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
SMILESCOCc1cc(C(=O)N2CCCc3cccc(O)c32)no1
InChIInChI=1S/C15H16N2O4/c1-20-9-11-8-12(16-21-11)15(19)17-7-3-5-10-4-2-6-13(18)14(10)17/h2,4,6,8,18H,3,5,7,9H2,1H3
InChIKeyUIYROXMLKVZAGP-UHFFFAOYSA-N
XLogP2.12
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone (CID 66156167) is (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is COCc1cc(C(=O)N2CCCc3cccc(O)c32)no1.
What is the InChIKey of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is UIYROXMLKVZAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-9-11-8-12(16-21-11)15(19)17-7-3-5-10-4-2-6-13(18)14(10)17/h2,4,6,8,18H,3,5,7,9H2,1H3.
What are the key properties of (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone?
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 288.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 66156167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).