1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one

C19H21NO2 — CID 2287166

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C19H21NO2/c21-19(13-7-15-22-17-10-2-1-3-11-17)20-14-6-9-16-8-4-5-12-18(16)20/h1-5,8,10-12H,6-7,9,13-15H2
InChIKeyBKOGZBCDGWSUDU-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.83
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one (PubChem CID 2287166) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one
PubChem CID2287166
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one
SMILESO=C(CCCOc1ccccc1)N1CCCc2ccccc21
InChIInChI=1S/C19H21NO2/c21-19(13-7-15-22-17-10-2-1-3-11-17)20-14-6-9-16-8-4-5-12-18(16)20/h1-5,8,10-12H,6-7,9,13-15H2
InChIKeyBKOGZBCDGWSUDU-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 2753
Para-methoxybutyryl fentanyl
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2-Methoxyfentanyl
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N-((2S,4R)-1-(3-methoxybenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 7097680
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
1-[4-(4-Methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 937377
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
1-[(2-Nitrophenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 717250

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one (CID 2287166) is 1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one is O=C(CCCOc1ccccc1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one?
The InChIKey is BKOGZBCDGWSUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19(13-7-15-22-17-10-2-1-3-11-17)20-14-6-9-16-8-4-5-12-18(16)20/h1-5,8,10-12H,6-7,9,13-15H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one has a molecular weight of 295.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-4-phenoxybutan-1-one is sourced from PubChem (CID 2287166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).