1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone

C14H19NO3 — CID 112602907

IUPAC1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H19NO3/c1-10(2)18-9-13(17)15-8-4-6-11-5-3-7-12(16)14(11)15/h3,5,7,10,16H,4,6,8-9H2,1-2H3
InChIKeyVWMDNYCYZKWHNQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds3

About 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone

1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone (PubChem CID 112602907) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
PubChem CID112602907
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCCc2cccc(O)c21
InChIInChI=1S/C14H19NO3/c1-10(2)18-9-13(17)15-8-4-6-11-5-3-7-12(16)14(11)15/h3,5,7,10,16H,4,6,8-9H2,1-2H3
InChIKeyVWMDNYCYZKWHNQ-UHFFFAOYSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-8-hydroxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 79161867
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 63214929
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one
CID 115970115
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103879674
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone
CID 55162887
2-propan-2-yloxy-1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 112691124
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)but-2-yn-1-one
CID 106741641
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(1,2-oxazol-3-yl)ethanone
CID 75483818
3-amino-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 54876637

Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone (CID 112602907) is 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCCc2cccc(O)c21.
What is the InChIKey of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone?
The InChIKey is VWMDNYCYZKWHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)18-9-13(17)15-8-4-6-11-5-3-7-12(16)14(11)15/h3,5,7,10,16H,4,6,8-9H2,1-2H3.
What are the key properties of 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone?
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone has a molecular weight of 249.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 112602907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).