2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C14H15NO4 — CID 63215456

IUPAC2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1=COCCO1)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H15NO4/c16-11-5-1-3-10-4-2-6-15(13(10)11)14(17)12-9-18-7-8-19-12/h1,3,5,9,16H,2,4,6-8H2
InChIKeyYMFQWERRXWRVSW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.56
Rot. Bonds1

About 2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone

2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 63215456) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID63215456
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1=COCCO1)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H15NO4/c16-11-5-1-3-10-4-2-6-15(13(10)11)14(17)12-9-18-7-8-19-12/h1,3,5,9,16H,2,4,6-8H2
InChIKeyYMFQWERRXWRVSW-UHFFFAOYSA-N
XLogP1.56
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79807986
(2-chloro-5-hydroxyphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106502280
5-(8-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 63215159
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 106741641
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one
CID 115970115
(3-bromo-2-pyridinyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107519525
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 66156167
N,N-diethyl-8-hydroxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 79161867
(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215264
(4-fluoro-2-methylphenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115970106

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 63215456) is 2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(C1=COCCO1)N1CCCc2cccc(O)c21.
What is the InChIKey of 2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is YMFQWERRXWRVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-11-5-1-3-10-4-2-6-15(13(10)11)14(17)12-9-18-7-8-19-12/h1,3,5,9,16H,2,4,6-8H2.
What are the key properties of 2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 261.28 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-dioxin-5-yl-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 63215456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).