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

C18H19NO3 — CID 110709445

IUPAC1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCC(O)c2ccccc21
InChIInChI=1S/C18H19NO3/c1-13-6-2-5-9-17(13)22-12-18(21)19-11-10-16(20)14-7-3-4-8-15(14)19/h2-9,16,20H,10-12H2,1H3
InChIKeyMDUSZTBVSWEMMS-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.84
Rot. Bonds3

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

1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone (PubChem CID 110709445) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
PubChem CID110709445
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1ccccc1OCC(=O)N1CCC(O)c2ccccc21
InChIInChI=1S/C18H19NO3/c1-13-6-2-5-9-17(13)22-12-18(21)19-11-10-16(20)14-7-3-4-8-15(14)19/h2-9,16,20H,10-12H2,1H3
InChIKeyMDUSZTBVSWEMMS-UHFFFAOYSA-N
XLogP2.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.84
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-propan-2-yloxyethanone
CID 112603238
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-(2-methylphenoxy)ethanone
CID 136533444
1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110636963
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-methoxyethanone
CID 104537325
1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 110709406
1-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 104537346
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)hexan-1-one
CID 104537335
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636689
1-[7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-2-(2-methylphenoxy)ethanone
CID 90629758
2-(2,5-dimethylphenoxy)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone
CID 18272818

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone (CID 110709445) is 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone is Cc1ccccc1OCC(=O)N1CCC(O)c2ccccc21.
What is the InChIKey of 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone?
The InChIKey is MDUSZTBVSWEMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-6-2-5-9-17(13)22-12-18(21)19-11-10-16(20)14-7-3-4-8-15(14)19/h2-9,16,20H,10-12H2,1H3.
What are the key properties of 1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone?
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone has a molecular weight of 297.35 g/mol, XLogP of 2.84, 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-(2-methylphenoxy)ethanone is sourced from PubChem (CID 110709445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).