(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C18H18BrNO2 — CID 7376111

IUPAC(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H18BrNO2/c1-13(22-16-10-8-15(19)9-11-16)18(21)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11,13H,4,6,12H2,1H3/t13-/m0/s1
InChIKeyTXELGYXRBHDCPE-ZDUSSCGKSA-N
MW360.25 g/mol
LogP4.20
Rot. Bonds3

About (2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 7376111) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID7376111
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H18BrNO2/c1-13(22-16-10-8-15(19)9-11-16)18(21)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11,13H,4,6,12H2,1H3/t13-/m0/s1
InChIKeyTXELGYXRBHDCPE-ZDUSSCGKSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.20
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
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7754876
(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
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
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
4-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 16540669
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-propanoylphenoxy)propan-1-one
CID 8604781
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 7376111) is (2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is TXELGYXRBHDCPE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-13(22-16-10-8-15(19)9-11-16)18(21)20-12-4-6-14-5-2-3-7-17(14)20/h2-3,5,7-11,13H,4,6,12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 360.25 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 7376111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).