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

C18H19NO2 — CID 2904377

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H19NO2/c1-14(21-16-10-3-2-4-11-16)18(20)19-13-7-9-15-8-5-6-12-17(15)19/h2-6,8,10-12,14H,7,9,13H2,1H3
InChIKeyVDZNBXVFKVZWDQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.43
Rot. Bonds3

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one (PubChem CID 2904377) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
PubChem CID2904377
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H19NO2/c1-14(21-16-10-3-2-4-11-16)18(20)19-13-7-9-15-8-5-6-12-17(15)19/h2-6,8,10-12,14H,7,9,13H2,1H3
InChIKeyVDZNBXVFKVZWDQ-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376111
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)propan-1-one
CID 2976581
(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26075972
N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133261924
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
CID 95157678
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 132650377
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
CID 8604781
4-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 16540669

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one (CID 2904377) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one?
The InChIKey is VDZNBXVFKVZWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14(21-16-10-3-2-4-11-16)18(20)19-13-7-9-15-8-5-6-12-17(15)19/h2-6,8,10-12,14H,7,9,13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.43, 3 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)-2-phenoxypropan-1-one is sourced from PubChem (CID 2904377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).