2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one

C23H23BrN2O2 — CID 170264478

IUPAC2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc2c(-c3ccccc3Br)ccnc2c1)C(=O)N1CCCCC1
InChIInChI=1S/C23H23BrN2O2/c1-16(23(27)26-13-5-2-6-14-26)28-17-9-10-20-18(11-12-25-22(20)15-17)19-7-3-4-8-21(19)24/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3
InChIKeyWMZQWQPTMFNLJF-UHFFFAOYSA-N
MW439.35 g/mol
LogP5.44
Rot. Bonds4

About 2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one

2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one (PubChem CID 170264478) has the molecular formula C23H23BrN2O2 and a molecular weight of 439.35 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
PubChem CID170264478
Molecular FormulaC23H23BrN2O2
Molecular Weight439.35 g/mol
Exact Mass438.09
IUPAC Name2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1ccc2c(-c3ccccc3Br)ccnc2c1)C(=O)N1CCCCC1
InChIInChI=1S/C23H23BrN2O2/c1-16(23(27)26-13-5-2-6-14-26)28-17-9-10-20-18(11-12-25-22(20)15-17)19-7-3-4-8-21(19)24/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3
InChIKeyWMZQWQPTMFNLJF-UHFFFAOYSA-N
XLogP5.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 155694760
2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one;formic acid
CID 155694759
2-[1-[2-[4-(2-chlorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-4-yl]acetic acid
CID 155127773
2-[(3R)-1-[(2R)-2-[4-[2-(dimethylamino)phenyl]quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
CID 155127467
2-[(3R)-1-[2-[4-(2-cyanophenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
CID 155127469
1-[(2R)-2-(4-iodoquinolin-7-yl)oxypropanoyl]piperidine-3-carboxylic acid
CID 155127729
2-(4-bromo-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 83133278
methyl (3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylate
CID 155141126
(3S)-1-[(2R)-2-[4-(2,6-dichloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 155127770
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
(2R)-2-[4-(4-fluoro-2,6-dimethylphenyl)quinolin-7-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 155127647
N-tert-butyl-4-[(2R)-2-[4-(2,6-dimethylphenyl)quinolin-7-yl]oxypropanoyl]piperazine-1-carboxamide
CID 155127371

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one (CID 170264478) is 2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one is CC(Oc1ccc2c(-c3ccccc3Br)ccnc2c1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one?
The InChIKey is WMZQWQPTMFNLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O2/c1-16(23(27)26-13-5-2-6-14-26)28-17-9-10-20-18(11-12-25-22(20)15-17)19-7-3-4-8-21(19)24/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3.
What are the key properties of 2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one?
2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one has a molecular weight of 439.35 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)quinolin-7-yl]oxy-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 170264478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).