[2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C21H17BrN2O2 — CID 46194295

IUPAC[2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cccnc1Oc1cccc(Br)c1)N1CCCc2ccccc21
InChIInChI=1S/C21H17BrN2O2/c22-16-8-3-9-17(14-16)26-20-18(10-4-12-23-20)21(25)24-13-5-7-15-6-1-2-11-19(15)24/h1-4,6,8-12,14H,5,7,13H2
InChIKeyFHXQMINPSQEVAA-UHFFFAOYSA-N
MW409.28 g/mol
LogP5.23
Rot. Bonds3

About [2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 46194295) has the molecular formula C21H17BrN2O2 and a molecular weight of 409.28 g/mol. Its IUPAC name is [2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID46194295
Molecular FormulaC21H17BrN2O2
Molecular Weight409.28 g/mol
Exact Mass408.05
IUPAC Name[2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cccnc1Oc1cccc(Br)c1)N1CCCc2ccccc21
InChIInChI=1S/C21H17BrN2O2/c22-16-8-3-9-17(14-16)26-20-18(10-4-12-23-20)21(25)24-13-5-7-15-6-1-2-11-19(15)24/h1-4,6,8-12,14H,5,7,13H2
InChIKeyFHXQMINPSQEVAA-UHFFFAOYSA-N
XLogP5.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.28
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[2-(3-hydroxyphenoxy)-3-pyridinyl]methanone
CID 70891037
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methylphenoxy)-3-pyridinyl]methanone
CID 67379820
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46194987
(4-bromo-2-sulfanylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107021560
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
(4-bromo-2-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031391
[5-bromo-2-(2,5-dimethylpyrrol-1-yl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 25181238
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954325
[2-(2,5-difluorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46195845
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 46194295) is [2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cccnc1Oc1cccc(Br)c1)N1CCCc2ccccc21.
What is the InChIKey of [2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is FHXQMINPSQEVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O2/c22-16-8-3-9-17(14-16)26-20-18(10-4-12-23-20)21(25)24-13-5-7-15-6-1-2-11-19(15)24/h1-4,6,8-12,14H,5,7,13H2.
What are the key properties of [2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 409.28 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 46194295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).