(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

C22H21BrN2O — CID 997940

IUPAC(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)C1
InChIInChI=1S/C22H21BrN2O/c1-15-6-5-11-25(14-15)22(26)19-13-21(16-7-3-2-4-8-16)24-20-10-9-17(23)12-18(19)20/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3/t15-/m0/s1
InChIKeyAGXARBXKZVCISS-HNNXBMFYSA-N
MW409.33 g/mol
LogP5.54
Rot. Bonds2

About (6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone

(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 997940) has the molecular formula C22H21BrN2O and a molecular weight of 409.33 g/mol. Its IUPAC name is (6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID997940
Molecular FormulaC22H21BrN2O
Molecular Weight409.33 g/mol
Exact Mass408.08
IUPAC Name(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)C1
InChIInChI=1S/C22H21BrN2O/c1-15-6-5-11-25(14-15)22(26)19-13-21(16-7-3-2-4-8-16)24-20-10-9-17(23)12-18(19)20/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3/t15-/m0/s1
InChIKeyAGXARBXKZVCISS-HNNXBMFYSA-N
XLogP5.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromophenyl)quinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 40543105
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
(6-bromo-2-phenylquinolin-4-yl)-(4-butylpiperazin-1-yl)methanone
CID 17126607
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
[2-(4-bromophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 17386031
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
[6-bromo-2-(4-tert-butylphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3712808
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone (CID 997940) is (6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is C[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)C1.
What is the InChIKey of (6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is AGXARBXKZVCISS-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21BrN2O/c1-15-6-5-11-25(14-15)22(26)19-13-21(16-7-3-2-4-8-16)24-20-10-9-17(23)12-18(19)20/h2-4,7-10,12-13,15H,5-6,11,14H2,1H3/t15-/m0/s1.
What are the key properties of (6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone?
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 409.33 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 997940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).