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

C14H19NO3 — CID 112603238

IUPAC1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(O)c2ccccc21
InChIInChI=1S/C14H19NO3/c1-10(2)18-9-14(17)15-8-7-13(16)11-5-3-4-6-12(11)15/h3-6,10,13,16H,7-9H2,1-2H3
InChIKeyFNTYTJKMUMYRFM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.88
Rot. Bonds3

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

1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone (PubChem CID 112603238) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
PubChem CID112603238
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CCC(O)c2ccccc21
InChIInChI=1S/C14H19NO3/c1-10(2)18-9-14(17)15-8-7-13(16)11-5-3-4-6-12(11)15/h3-6,10,13,16H,7-9H2,1-2H3
InChIKeyFNTYTJKMUMYRFM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
CID 110709445
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methoxyethanone
CID 104537325
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 104537346
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)hexan-1-one
CID 104537335
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110709443
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-3-methoxypropan-1-one
CID 104537376
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 104537337
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 79159594
(2,6-dihydroxyphenyl)-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107690164
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-propylpentan-1-one
CID 114337429
2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 75504724

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone (CID 112603238) is 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CCC(O)c2ccccc21.
What is the InChIKey of 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone?
The InChIKey is FNTYTJKMUMYRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)18-9-14(17)15-8-7-13(16)11-5-3-4-6-12(11)15/h3-6,10,13,16H,7-9H2,1-2H3.
What are the key properties of 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone?
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone has a molecular weight of 249.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 112603238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).