1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone

C18H19NO3 — CID 110636963

IUPAC1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
SMILESCc1cccc2c1N(C(=O)COc1ccccc1)CCC2O
InChIInChI=1S/C18H19NO3/c1-13-6-5-9-15-16(20)10-11-19(18(13)15)17(21)12-22-14-7-3-2-4-8-14/h2-9,16,20H,10-12H2,1H3
InChIKeyQEUXHTMSWHXKHG-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone

1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone (PubChem CID 110636963) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
PubChem CID110636963
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
SMILESCc1cccc2c1N(C(=O)COc1ccccc1)CCC2O
InChIInChI=1S/C18H19NO3/c1-13-6-5-9-15-16(20)10-11-19(18(13)15)17(21)12-22-14-7-3-2-4-8-14/h2-9,16,20H,10-12H2,1H3
InChIKeyQEUXHTMSWHXKHG-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

2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636961
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
CID 110709445
2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636958
(2-fluorophenyl)-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636941
(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 110636985
1-(4-ethoxyphenyl)sulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637065
1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-phenoxyethanone
CID 112781425
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-propan-2-yloxyethanone
CID 112603238
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-[4-(1,3-dithian-2-yl)phenoxy]-1-(7-methyl-2,3-dihydroindol-1-yl)ethanone
CID 112835811
2-(3-fluorophenoxy)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709524
1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
CID 110636690

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone (CID 110636963) is 1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone is Cc1cccc2c1N(C(=O)COc1ccccc1)CCC2O.
What is the InChIKey of 1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
The InChIKey is QEUXHTMSWHXKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-6-5-9-15-16(20)10-11-19(18(13)15)17(21)12-22-14-7-3-2-4-8-14/h2-9,16,20H,10-12H2,1H3.
What are the key properties of 1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone?
1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone 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-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 110636963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).