[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone

C22H21BrN2O — CID 4198467

IUPAC[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H21BrN2O/c1-15-6-4-5-13-25(15)22(26)19-14-21(16-9-11-17(23)12-10-16)24-20-8-3-2-7-18(19)20/h2-3,7-12,14-15H,4-6,13H2,1H3
InChIKeyQCZRUHUBGULBFL-UHFFFAOYSA-N
MW409.33 g/mol
LogP5.68
Rot. Bonds2

About [2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone

[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 4198467) has the molecular formula C22H21BrN2O and a molecular weight of 409.33 g/mol. Its IUPAC name is [2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID4198467
Molecular FormulaC22H21BrN2O
Molecular Weight409.33 g/mol
Exact Mass408.08
IUPAC Name[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H21BrN2O/c1-15-6-4-5-13-25(15)22(26)19-14-21(16-9-11-17(23)12-10-16)24-20-8-3-2-7-18(19)20/h2-3,7-12,14-15H,4-6,13H2,1H3
InChIKeyQCZRUHUBGULBFL-UHFFFAOYSA-N
XLogP5.68
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 ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1022755
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 7395353
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4605822
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 92606138
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone (CID 4198467) is [2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of [2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is QCZRUHUBGULBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O/c1-15-6-4-5-13-25(15)22(26)19-14-21(16-9-11-17(23)12-10-16)24-20-8-3-2-7-18(19)20/h2-3,7-12,14-15H,4-6,13H2,1H3.
What are the key properties of [2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 409.33 g/mol, XLogP of 5.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 4198467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).