[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

C23H23BrN2O — CID 3338926

IUPAC[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)C1
InChIInChI=1S/C23H23BrN2O/c1-15-11-16(2)14-26(13-15)23(27)20-12-22(17-7-9-18(24)10-8-17)25-21-6-4-3-5-19(20)21/h3-10,12,15-16H,11,13-14H2,1-2H3
InChIKeyBTOINODYNDCPMZ-UHFFFAOYSA-N
MW423.35 g/mol
LogP5.78
Rot. Bonds2

About [2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 3338926) has the molecular formula C23H23BrN2O and a molecular weight of 423.35 g/mol. Its IUPAC name is [2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID3338926
Molecular FormulaC23H23BrN2O
Molecular Weight423.35 g/mol
Exact Mass422.10
IUPAC Name[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)C1
InChIInChI=1S/C23H23BrN2O/c1-15-11-16(2)14-26(13-15)23(27)20-12-22(17-7-9-18(24)10-8-17)25-21-6-4-3-5-19(20)21/h3-10,12,15-16H,11,13-14H2,1-2H3
InChIKeyBTOINODYNDCPMZ-UHFFFAOYSA-N
XLogP5.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.35
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 1220276
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone
CID 1223536
(3,5-dimethylpiperidin-1-yl)-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone
CID 2887233
[2-(3-bromophenyl)quinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 40543105
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 997940
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 7693946
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 3338926) is [2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)C1.
What is the InChIKey of [2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is BTOINODYNDCPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O/c1-15-11-16(2)14-26(13-15)23(27)20-12-22(17-7-9-18(24)10-8-17)25-21-6-4-3-5-19(20)21/h3-10,12,15-16H,11,13-14H2,1-2H3.
What are the key properties of [2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 423.35 g/mol, XLogP of 5.78, 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]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 3338926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).